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626-60-8

3-氯吡啶(626-60-8)红外图谱(IR1)

产品名称:3-氯吡啶

CAS:626-60-8

分子式:C5H4ClN

分子量: 113.54

InChI:InChI=1S/C5H4ClN/c6-5-2-1-3-7-4-5/h1-4H

InChIKey: PWRBCZZQRRPXAB-UHFFFAOYSA-N

Smiles:C1=NC=CC=C1Cl

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    Mass

    MS-NW-1483          
    3-chloropyridine
    C5H4ClN             (Mass of molecular ion:    113)
    

       Source Temperature: 250 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          18.0       2.3
          25.0       1.0
          26.0       3.6
          27.0       1.9
          28.0       2.9
          37.0       3.1
          38.0       3.6
          38.5       1.8
          39.0       2.2
          48.0       1.0
          49.0       6.3
          50.0      23.7
          51.0      44.4
          52.0       5.8
          60.0       5.3
          62.0       2.2
          73.0       1.6
          75.0       2.7
          76.0       5.2
          77.0       4.8
          78.0      68.9
          79.0       4.4
          84.0       1.1
          85.0       3.1
          86.0       9.2
          87.0       2.0
          88.0       3.0
         112.0       1.7
         113.0     100.0
         114.0       7.1
         115.0      31.7
         116.0       2.1
    

parameter in DMSO-d6

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    1H NMR 300 MHz
    C5 H4 Cl N 30 % in DMSO
    3-chloropyridine
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 8.79 D(B) 7.99 D(C) 7.57 D(D) 8.68 J(A,B) 2.5 J(A,C) 0.8 J(A,D) 0.3 J(B,C) 8.2 J(B,D) 1.5 J(C,D) 4.8 BRUEGEL,W. Z.ELEKTROCHEM.(BER.BUNSENGES.PHYS.CHEM.) 66, 159 (1962) J(A,D) LESS THAN 0.3HZ.

         Hz     ppm     Int.
    

       2638.01   8.793    983
       2636.01   8.787   1000
       2607.15   8.690    738
       2605.70   8.686    763
       2602.36   8.675    774
       2600.91   8.670    772
       2403.21   8.011    403
       2401.69   8.006    465
       2400.76   8.003    463
       2399.24   7.997    399
       2395.02   7.983    465
       2393.50   7.978    528
       2392.57   7.975    525
       2391.05   7.970    444
       2277.68   7.592    523
       2277.03   7.590    524
       2272.88   7.576    522
       2272.23   7.574    525
       2269.48   7.565    479
       2268.83   7.563    473
       2264.68   7.549    450
       2264.04   7.547    446
    

CCl4 solution

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liquid film

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