鄰氯苯腈(873-32-5)紅外圖譜(IR1)

產(chǎn)品名稱:鄰氯苯腈

CAS:873-32-5

分子式:C7H4ClN

分子量: 137.57

InChI:InChI=1S/C7H4ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H

InChIKey: NHWQMJMIYICNBP-UHFFFAOYSA-N

Smiles:C(#N)C1=CC=CC=C1Cl

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

    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