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372-48-5

2-氟吡啶(372-48-5)Raman光谱

产品名称:2-氟吡啶

CAS:372-48-5

分子式:C5H4FN

分子量: 97.09

InChI:InChI=1S/C5H4FN/c6-5-3-1-2-4-7-5/h1-4H

InChIKey: MTAODLNXWYIKSO-UHFFFAOYSA-N

Smiles:C1(F)=NC=CC=C1

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    Mass

    MS-NW-5593          
    2-fluoropyridine
    C5H4FN              (Mass of molecular ion:     97)
    

       Source Temperature: 260 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          26.0       3.3
          27.0       1.0
          28.0       1.6
          31.0       3.3
          37.0       2.4
          38.0       2.6
          39.0       7.9
          44.0       2.7
          46.0       2.6
          48.0       1.1
          48.5       1.0
          49.0       2.3
          50.0       8.4
          51.0      10.0
          52.0       5.5
          57.0      10.5
          68.0       2.6
          69.0       6.6
          70.0      51.5
          71.0       6.2
          75.0       1.3
          76.0       4.6
          77.0       4.0
          78.0       2.2
          96.0       7.4
          97.0     100.0
          98.0       5.8
    

90 MHz in CDCl3

parameter in CCl4

parameter neat

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    1H NMR 89.56 MHz
    C5 H4 F N 0.04 ml : 0.5 ml CDCl3
    2-fluoropyridine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.230 B 7.784 C 7.182 D 6.934

         Hz     ppm     Int.
    

        740.75   8.271    462
        739.69   8.260    499
        738.75   8.249    531
        735.88   8.217    538
        734.94   8.207    559
        733.88   8.195    577
        710.88   7.938    438
        708.75   7.914    380
        703.63   7.857    595
        702.75   7.847    782
        701.56   7.834    571
        700.69   7.824    725
        699.69   7.813     90
        695.50   7.766    997
        694.63   7.757    585
        693.38   7.743    910
        692.50   7.733    560
        687.38   7.676    683
        685.25   7.652    621
        650.50   7.264    582
        649.56   7.253    615
        648.13   7.237    599
        647.19   7.227    646
        645.63   7.209    552
        644.69   7.199    584
        643.25   7.183    926
        642.31   7.172    944
        640.88   7.156    524
        639.94   7.146    497
        638.38   7.128    474
        637.44   7.118    469
        635.94   7.101    471
        635.00   7.091    445
        626.88   7.000    691
        626.13   6.992    985
        625.19   6.981    636
        624.25   6.971    741
        623.44   6.962   1000
        622.56   6.952    624
        618.69   6.909    556
        617.88   6.900    784
        617.00   6.890    535
        616.00   6.879    606
        615.25   6.870    820
        614.31   6.860    523
    

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    1H NMR 300 MHz
    C5 H4 F N 10 vol% in CCl4
    2-fluoropyridine
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.19 D(B) 7.15 D(C) 7.77 D(D) 6.88 J(A,B) 4.95 J(A,C) 2.10 J(A,D) 0.78 J(A,X) 0.0 J(B,C) 7.23 J(B,D) 0.91 J(B,X) 2.49 J(C,D) 8.23 J(C,X) 8.18 J(D,X) -2.85 SMITH,W.B. & ROARK,J.L. J.PHYS.CHEM. 73, 1049 (1969)

         Hz     ppm     Int.
    

       2460.90   8.203    926
       2460.18   8.201    970
       2458.82   8.196    997
       2458.09   8.194    972
       2455.96   8.187    972
       2455.23   8.184    992
       2453.86   8.180   1000
       2453.15   8.177    972
       2343.99   7.813    371
       2341.91   7.806    363
       2336.74   7.789    505
       2335.76   7.786    853
       2334.66   7.782    556
       2333.68   7.779    811
       2328.52   7.762    859
       2327.62   7.759    567
       2326.43   7.755    875
       2325.57   7.752    516
       2320.34   7.734    429
       2318.27   7.728    413
       2152.70   7.176    470
       2151.80   7.173    499
       2150.30   7.168    481
       2149.33   7.164    496
       2147.74   7.159    503
       2146.85   7.156    534
       2145.39   7.151    887
       2144.50   7.148    878
       2143.08   7.144    510
       2142.08   7.140    480
       2140.51   7.135    461
       2139.64   7.132    462
       2138.13   7.127    456
       2137.15   7.124    424
       2070.27   6.901    552
       2069.44   6.898    870
       2068.61   6.895    610
       2067.42   6.891    622
       2066.63   6.889    916
       2065.85   6.886    567
       2062.11   6.874    533
       2061.28   6.871    802
       2060.45   6.868    568
       2059.21   6.864    576
       2058.41   6.861    855
       2057.63   6.859    525
    

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    1H NMR 300 MHz
    C5 H4 F N neat
    2-fluoropyridine
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.266 D(B) 7.217 D(C) 7.840 D(D) 6.998 D(X) -60.7 J(A,B) 4.88 J(A,C) 2.14 J(A,D) 0.81 J(A,X) 0.0 J(B,C) 7.16 J(B,D) 0.83 J(B,X) 2.49 J(C,D) 8.18 J(C,X) 8.19 J(D,X) -2.63 THOMAS,W.A. & GRIFFIN,G.E. ORG.MAGN.RESON. 2, 503 (1970) J(A,X):NOT EQUAL 0.

         Hz     ppm     Int.
    

       2483.71   8.279    921
       2482.94   8.276    967
       2481.57   8.272    996
       2480.82   8.269    975
       2478.83   8.263    976
       2478.07   8.260    994
       2476.69   8.256   1000
       2475.95   8.253    971
       2364.95   7.883    374
       2362.83   7.876    366
       2357.77   7.859    500
       2356.74   7.856    849
       2355.65   7.852    554
       2354.62   7.849    807
       2349.59   7.832    854
       2348.61   7.829    565
       2347.45   7.825    873
       2346.53   7.822    509
       2341.42   7.805    433
       2339.30   7.798    417
       2172.67   7.242    486
       2171.89   7.240    513
       2170.28   7.234    492
       2169.41   7.231    508
       2167.80   7.226    518
       2167.01   7.223    546
       2165.45   7.218    907
       2164.64   7.215    898
       2163.13   7.210    517
       2162.22   7.207    494
       2160.65   7.202    474
       2159.85   7.199    474
       2158.25   7.194    466
       2157.36   7.191    438
       2105.49   7.018    567
       2104.70   7.016    936
       2103.90   7.013    644
       2102.90   7.010    656
       2102.12   7.007    960
       2101.36   7.005    579
       2097.39   6.991    544
       2096.59   6.989    869
       2095.77   6.986    593
       2094.73   6.982    604
       2093.94   6.980    894
       2093.18   6.977    539
    

in CDCl3

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liquid film

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