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网站主页CAS数据库列表 873-32-5更多图谱邻氯苯腈(873-32-5)核磁图(13CNMR)

邻氯苯腈

产品名称 邻氯苯腈

CAS号873-32-5

分子式C7H4ClN

分子量137.57

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  • Mass

    MS-NW-7653          
    o-chlorobenzonitrile
    C7H4ClN             (Mass of molecular ion:    137)
    

       Source Temperature: 260 °C
       Sample Temperature: 170 °C
       Reservoir, 75 eV
    

          27.0       1.2
          37.0       2.6
          38.0       2.1
          39.0       1.9
          49.0       2.1
          50.0      10.4
          50.5       2.7
          51.0       7.2
          52.0       1.7
          61.0       1.1
          62.0       1.3
          63.0       1.1
          68.5       3.3
          69.5       1.1
          73.0       2.5
          74.0       4.6
          75.0      13.6
          76.0       7.8
          86.0       1.1
          99.0       2.1
         100.0       2.6
         101.0       3.5
         102.0      31.8
         103.0       2.8
         110.0       2.8
         137.0     100.0
         138.0       8.0
         139.0      31.9
         140.0       2.6
    

parameter in CDCl3


  • 1H NMR 300 MHz
    C7 H4 Cl N in CCl4
    o-chlorobenzonitrile
    ChemicalStructure
        Parameter     ppm  Hz
    D(A) 7.64 D(B) 7.38 D(C) 7.53 D(D) 7.50 J(A,B) 7.52 J(A,C) 1.48 J(A,D) 0.46 J(B,C) 7.58 J(B,D) 0.95 J(C,D) 8.08 SMITH,W.B. & ROARK,J.L. J.AM.CHEM.SOC. 89, 5018 (1967)

         Hz     ppm     Int.
    

       2296.41   7.655    348
       2295.43   7.651    363
       2295.00   7.650    348
       2289.42   7.631    367
       2288.80   7.629    428
       2288.15   7.627    443
       2287.53   7.625    401
       2268.99   7.563    110
       2267.55   7.558    100
       2262.22   7.541    122
       2260.95   7.536    417
       2259.50   7.532    373
       2254.17   7.514    749
       2252.99   7.510   1000
       2251.79   7.506    742
       2251.20   7.504    675
       2245.55   7.485    184
       2245.12   7.484    178
       2243.77   7.479     76
       2243.18   7.477     62
       2230.11   7.434     19
       2221.50   7.405    363
       2219.66   7.399    313
       2214.72   7.382    316
       2214.07   7.380    361
       2212.92   7.376    306
       2212.13   7.374    296
       2207.44   7.358    210
       2205.49   7.352    201
    

in CDCl3



KBr disc



nujol mull



4880 A,200 M,powder