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92-52-4

联苯(92-52-4)Raman光谱

产品名称:联苯

CAS:92-52-4

分子式:C12H10

分子量: 154.21

InChI:InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H

InChIKey: ZUOUZKKEUPVFJK-UHFFFAOYSA-N

Smiles:C1(C2=CC=CC=C2)=CC=CC=C1

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    Mass

    MS-NW-6147          
    biphenyl
    C12H10              (Mass of molecular ion:    154)
    

       Source Temperature: 250 °C
       Sample Temperature: 190 °C
       Reservoir, 75 eV
    

          39.0       2.0
          50.0       2.3
          51.0       4.8
          52.0       1.1
          62.0       1.1
          63.0       3.7
          64.0       4.0
          74.0       1.7
          75.0       2.1
          75.5       1.1
          76.0      10.3
          76.5       2.0
          77.0       5.7
          89.0       1.1
         102.0       2.2
         115.0       3.5
         126.0       1.9
         127.0       2.2
         128.0       3.3
         139.0       1.5
         150.0       1.5
         151.0       5.1
         152.0      18.2
         153.0      29.7
         154.0     100.0
         155.0      13.1
    

parameter in TMS

parameter in CS2

parameter in CDCl3

400 MHz in CDCl3

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    1H NMR 300 MHz
    C12 H10 5 % in TMS
    biphenyl
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.436 D(B) 7.260 D(C) 7.169 J(A,A') 2.01 J(A,B) 7.84 J(A,B') 0.64 J(A,C) 1.28 J(A',B) 0.64 J(A',B') 7.84 J(A',C) 1.28 J(B,B') 1.47 J(B,C) 7.45 J(B',C) 7.45 MAYO,R.E. & GOLDSTEIN,J.H. MOL.PHYS. 10, 301 (1966)

         Hz     ppm     Int.
    

       2236.02   7.453    556
       2234.52   7.448    807
       2232.42   7.441    232
       2228.44   7.428    437
       2227.51   7.425    840
       2226.25   7.421    755
       2224.14   7.414    117
       2186.63   7.289    283
       2185.50   7.285    472
       2183.67   7.279    179
       2178.38   7.261   1000
       2176.82   7.256    492
       2172.23   7.241    297
       2170.72   7.236    531
       2168.54   7.228     99
       2158.37   7.195    241
       2156.97   7.190    444
       2155.57   7.185    238
       2151.99   7.173    156
       2149.62   7.165    433
       2147.20   7.157    114
       2143.74   7.146     93
       2142.38   7.141    155
       2141.03   7.137     81
    

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    1H NMR 300 MHz
    C12 H10 5 mol% in CS2
    biphenyl
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.420 D(B) 7.277 D(C) 7.185 J(A,A') 1.99 J(A,B) 7.82 J(A,B') 0.60 J(A,C) 1.22 J(A',B) 0.60 J(A',B') 7.82 J(A',C) 1.22 J(B,B') 1.45 J(B,C) 7.49 J(B',C) 7.49 KAMEZAWA,N. J.MAGN.RESON. 11, 88 (1973)

         Hz     ppm     Int.
    

       2231.23   7.437    526
       2229.78   7.433    778
       2227.73   7.426    226
       2223.76   7.413    452
       2222.78   7.409    853
       2221.59   7.405    788
       2219.47   7.398    123
       2191.64   7.305    295
       2190.54   7.302    487
       2188.73   7.296    180
       2183.39   7.278   1000
       2181.87   7.273    480
       2177.22   7.257    289
       2175.76   7.253    523
       2173.59   7.245     95
       2163.15   7.210    242
       2161.79   7.206    440
       2160.44   7.201    236
       2156.74   7.189    155
       2154.43   7.181    445
       2152.05   7.173    114
       2148.47   7.162     93
       2147.16   7.157    155
       2145.85   7.153     81
    

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    1H NMR 300 MHz
    C12 H10 2.05 mol% in CDCl3
    biphenyl
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.577 D(B) 7.414 D(C) 7.321 J(A,A') 2.03 J(A,B) 7.79 J(A,B') 0.59 J(A,C) 1.24 J(A',B) 0.59 J(A',B') 7.79 J(A',C) 1.24 J(B,B') 1.39 J(B,C) 7.45 J(B',C) 7.45 YANAGISAWA,M. ET AL. MAGN.RESON.CHEM. 25, 184 (1987)

         Hz     ppm     Int.
    

       2278.27   7.594    543
       2276.81   7.589    813
       2274.78   7.583    233
       2270.76   7.569    450
       2269.87   7.566    835
       2268.65   7.562    786
       2266.54   7.555    122
       2232.74   7.442    296
       2231.64   7.439    467
       2229.87   7.433    183
       2224.56   7.415   1000
       2223.03   7.410    495
       2218.38   7.395    298
       2216.91   7.390    553
       2214.77   7.383    100
       2203.95   7.346    243
       2202.59   7.342    445
       2201.23   7.337    239
       2197.55   7.325    158
       2195.24   7.317    446
       2192.89   7.310    117
       2189.32   7.298     95
       2188.00   7.293    159
       2186.69   7.289     83
    

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    1H NMR 399.65 MHz
    C12 H10 14.5 mg : 0.5 ml CDCl3
    biphenyl
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.593 B 7.436 C 7.346

         Hz     ppm     Int.
    

       3039.92   7.607    664
       3038.57   7.604    856
       3036.50   7.598    251
       3033.20   7.590    328
       3032.59   7.589    421
       3031.49   7.586    951
       3030.76   7.584    703
       3030.27   7.583    779
       3028.20   7.578    157
       3025.27   7.570     38
       2981.69   7.461    138
       2980.83   7.459    348
       2979.98   7.457    501
       2978.15   7.452    203
       2976.20   7.448     52
       2974.73   7.444    196
       2974.12   7.442    257
       2972.78   7.439   1000
       2971.44   7.436    448
       2969.12   7.430     70
       2966.55   7.423    294
       2964.97   7.419    565
       2962.89   7.414    120
       2943.12   7.365    224
       2941.77   7.361    434
       2940.43   7.358    234
       2938.35   7.353     33
       2937.99   7.352     34
       2936.40   7.348    180
       2934.33   7.343    439
       2932.37   7.338    148
       2929.69   7.331     30
       2928.34   7.328    124
       2927.00   7.324    208
       2925.78   7.321    111
    

in CDCl3

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KBr disc

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nujol mull

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4880 A,200 M,powder

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ANION RADICAL, REDUCTION WITH RB IN THF AT RT

ANION RADICAL, REDUCTION WITH K IN THF

ANION RADICAL, REDUCTION WITH CAESIUM IN THF

ANION RADICAL, REDUCTION WITH LI IN THF AT RT

ANION RADICAL, REDUCTION WITH NA IN MTHF, ENDOR

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