15721-27-4

2-氯苯甲酸乙烯基酯(含稳定剂氢醌)(15721-27-4)红外图谱(IR1)

产品名称:2-氯苯甲酸乙烯基酯(含稳定剂氢醌)

CAS:15721-27-4

分子式:C9H7ClO2

分子量: 182.6

InChI:InChI=1S/C9H7ClO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h2-6H,1H2

InChIKey: ZJIHUSWGELHYBJ-UHFFFAOYSA-N

Smiles:C(OC=C)(=O)C1=CC=CC=C1Cl

¹HNMR

¹³CNMR

IR1

Mass

MS-NW-6647          
vinyl o-chlorobenzoate
C9H7ClO2            (Mass of molecular ion:    182)

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

      15.0       1.7
      27.0       1.8
      43.0       1.2
      50.0       6.8
      51.0       3.3
      74.0       3.6
      75.0      16.5
      76.0       4.3
      85.0       2.1
     111.0      29.9
     112.0       2.3
     113.0      10.0
     139.0     100.0
     140.0       7.6
     141.0      31.5
     142.0       2.6

90 MHz in CDCl3

400 MHz in CDCl3

¹H NMR	89.56 MHz
C₉ H₇ Cl O₂	0.05 ml : 0.5 ml CDCl₃
vinyl o-chlorobenzoate

    Assign.     Shift(ppm)

      A             7.910
      B          7.50 to 7.26
      C             7.47
      D             5.069
      E             4.722
     J(C,D)=14.0HZ
     J(C,E)=6.3HZ
     J(D,E)=-1.8HZ
     400MHZ : HSP-42-171

     Hz     ppm     Int.

    716.56   8.001     37
    714.00   7.973    176
    712.63   7.958    305
    710.50   7.934    182
    708.81   7.915     63
    706.75   7.892    316
    705.00   7.872    251
    704.06   7.862    245
    700.44   7.821     53
    699.00   7.805     32
    698.63   7.801     33
    684.00   7.638     32
    681.06   7.605    345
    678.75   7.579     46
    674.81   7.535    392
    673.25   7.518    104
    671.25   7.495    246
    670.63   7.489    268
    669.19   7.472    565
    667.13   7.449    749
    666.44   7.442    862
    665.75   7.434   1000
    664.00   7.415    593
    662.38   7.396    509
    660.94   7.380    504
    659.19   7.361    210
    657.56   7.343    255
    655.19   7.316    284
    652.69   7.288    105
    651.38   7.274    256
    650.00   7.258    126
    648.00   7.236     40
    646.25   7.216     80
    461.44   5.153    399
    459.69   5.133    412
    447.50   4.997    344
    445.81   4.978    371
    426.88   4.767    403
    425.13   4.747    368
    420.63   4.697    400
    418.88   4.678    336

¹H NMR	399.65 MHz
C₉ H₇ Cl O₂	0.05 ml : 0.5 ml CDCl₃
vinyl o-chlorobenzoate

    Assign.     Shift(ppm)

      A             7.910
      B             7.489
      C             7.46
      D             7.43
      E             7.321
      F             5.066
      G             4.720
     J(A,E)=2.2HZ
     J(B,F)=13.9HZ
     J(B,G)=6.3HZ
     J(C,D)=1.6HZ
     J(F,G)=-1.7HZ
     90MHZ : HSP-06-118

     Hz     ppm     Int.

   3166.50   7.924    331
   3165.77   7.922    375
   3165.16   7.920    370
   3164.43   7.919    356
   3161.25   7.911     40
   3158.20   7.903    404
   3157.10   7.900    417
   3153.08   7.890     30
   3152.34   7.888     31
   3004.27   7.518    562
   2997.92   7.502    610
   2994.63   7.494     42
   2990.23   7.483    627
   2986.08   7.472    115
   2985.35   7.470    158
   2984.01   7.467    729
   2978.03   7.452    661
   2977.29   7.450    948
   2975.71   7.446   1000
   2970.58   7.433    561
   2968.99   7.429    532
   2967.77   7.426    122
   2964.60   7.418     54
   2963.87   7.417     63
   2962.52   7.413    204
   2960.94   7.409    185
   2957.15   7.400     35
   2955.57   7.396     31
   2940.31   7.358     40
   2933.47   7.341    378
   2931.27   7.335    327
   2927.00   7.324    277
   2925.66   7.321    382
   2924.80   7.319    314
   2923.58   7.316    347
   2921.02   7.309     40
   2919.07   7.305    252
   2916.99   7.299    253
   2032.59   5.086    594
   2030.88   5.082    622
   2018.68   5.052    595
   2016.97   5.047    595
   1890.63   4.731    585
   1888.79   4.727    616
   1884.28   4.715    602
   1882.57   4.711    593
   1877.20   4.698     35
   1875.37   4.693     32

in CDCl3