2212-05-7

4-氯苯基缩水甘油醚(2212-05-7)核磁图(¹³CNMR)

产品名称:4-氯苯基缩水甘油醚

CAS:2212-05-7

分子式:C9H9ClO2

分子量: 184.62

InChI:InChI=1S/C9H9ClO2/c10-7-1-3-8(4-2-7)11-5-9-6-12-9/h1-4,9H,5-6H2

InChIKey: KSLSZOOZWRMSAP-UHFFFAOYSA-N

Smiles:O1CC1COC1=CC=C(Cl)C=C1

Mass

MS-NW-8867          
p-chlorophenyl 2,3-epoxypropyl ether
C9H9ClO2            (Mass of molecular ion:    184)

   Source Temperature: 280 °C
   Sample Temperature: 140 °C
   Reservoir, 75 eV

      15.0       1.1
      26.0       1.5
      27.0      17.6
      28.0       2.0
      29.0      48.2
      30.0       1.2
      31.0      37.6
      37.0       1.2
      38.0       3.8
      39.0       8.3
      41.0       2.6
      43.0       4.2
      49.0       1.2
      50.0       5.7
      51.0       3.9
      53.0       1.3
      55.0       1.8
      57.0      57.1
      58.0       2.1
      61.0       1.6
      62.0       3.5
      63.0      11.6
      64.0       6.8
      65.0      15.5
      66.0       1.2
      73.0      10.1
      74.0       3.4
      75.0      16.5
      76.0       2.8
      77.0       5.7
      85.0       1.7
      89.0       1.4
      91.0       6.3
      92.0       2.2
      93.0       2.6
      99.0      13.2
     100.0       7.8
     101.0       4.8
     102.0       2.8
     111.0      20.9
     112.0       2.0
     113.0      12.9
     114.0       1.1
     115.0       2.1
     119.0       3.9
     125.0       5.6
     127.0       4.9
     128.0     100.0
     129.0       7.8
     130.0      32.4
     131.0       2.2
     141.0      23.5
     142.0       2.0
     143.0       7.8
     153.0       1.0
     154.0      12.2
     155.0       2.0
     156.0       4.1
     184.0      71.5
     185.0       7.2
     186.0      23.4
     187.0       2.3

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₉ H₉ Cl O₂	0.039 g : 0.5 ml CDCl₃
p-chlorophenyl 2,3-epoxypropyl ether

    Assign.     Shift(ppm)

      A             7.229
      B             6.847
      C     *1      4.206
      D     *1      3.892
      E             3.335
      F             2.899
      G             2.743

     Hz     ppm     Int.

   2897.34   7.250     92
   2893.92   7.242    971
   2891.72   7.236    290
   2889.53   7.231     40
   2887.21   7.225    318
   2884.89   7.219   1000
   2881.47   7.210    105
   2744.02   6.867    102
   2740.60   6.858    973
   2738.40   6.852    284
   2733.89   6.841    278
   2731.57   6.835    851
   2728.15   6.827     83
   1688.60   4.226    282
   1685.55   4.218    284
   1677.49   4.198    331
   1674.56   4.191    334
   1563.72   3.913    316
   1557.98   3.899    331
   1552.73   3.886    268
   1546.88   3.871    281
   1340.82   3.355     94
   1338.01   3.348    170
   1336.67   3.345    122
   1335.08   3.341    203
   1333.86   3.338    192
   1332.28   3.334    180
   1330.93   3.331    210
   1329.35   3.327    114
   1328.13   3.324    175
   1325.20   3.316     98
   1163.33   2.911    343
   1159.18   2.901    385
   1158.45   2.899    442
   1154.30   2.889    382
   1099.85   2.753    346
   1097.17   2.746    346
   1094.97   2.740    304
   1092.29   2.734    294

in CDCl3