946-02-1

苯甲酸-4-氯丁酯(946-02-1)核磁图(¹HNMR)

产品名称:苯甲酸-4-氯丁酯

CAS:946-02-1

分子式:C11H13ClO2

分子量: 212.67

InChI:InChI=1S/C11H13ClO2/c12-8-4-5-9-14-11(13)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2

InChIKey: XFFQVVCNZAYQSJ-UHFFFAOYSA-N

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

¹HNMR

¹³CNMR

IR1

Mass

MS-IW-2208          
4-chlorobutyl benzoate
C11H13ClO2          (Mass of molecular ion:    212)

   Source Temperature: 220 °C
   Sample Temperature: 160 °C
   Reservoir, 75 eV

      27.0       2.4
      29.0       2.0
      39.0       2.0
      41.0       2.0
      50.0       2.6
      51.0      10.1
      54.0       5.9
      55.0      11.1
      76.0       1.9
      77.0      36.5
      78.0       3.1
      79.0       2.0
      90.0       1.1
      91.0       1.1
     105.0     100.0
     106.0       8.9
     107.0       1.6
     122.0      50.4
     123.0      34.3
     124.0       2.7
     135.0       2.0
     177.0       9.5
     178.0       1.1
     212.0       2.6

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₁₁ H₁₃ Cl O₂	0.05 ml : 0.5 ml CDCl₃
4-chlorobutyl benzoate

    Assign.     Shift(ppm)

      A             8.038
      B             7.537
      C             7.426
      D             4.341
      E             3.590
      F             1.92

     Hz     ppm     Int.

   3218.75   8.054     94
   3216.92   8.050    447
   3216.55   8.049    417
   3215.82   8.047    564
   3210.69   8.034    178
   3208.74   8.029    619
   3207.15   8.025    560
   3022.34   7.563     79
   3021.12   7.560    150
   3019.78   7.557     93
   3015.63   7.546    109
   3013.55   7.541    341
   3011.72   7.536    134
   3007.57   7.526    154
   3006.23   7.523    271
   3004.88   7.519    157
   2976.68   7.449    107
   2975.10   7.445    433
   2973.63   7.441    218
   2968.38   7.428    353
   2967.29   7.425    619
   2961.43   7.411    129
   2959.84   7.407    299
   2959.23   7.405    243
   1743.04   4.362     52
   1740.84   4.356    249
   1739.14   4.352    191
   1737.06   4.347    210
   1734.74   4.341    649
   1732.91   4.337    265
   1728.76   4.326    253
   1726.56   4.321     55
   1725.34   4.318     38
   1444.46   3.615     34
   1443.24   3.612     49
   1441.04   3.606    237
   1439.33   3.602    154
   1436.89   3.596    262
   1434.81   3.591    670
   1432.98   3.586    206
   1432.13   3.584    210
   1430.54   3.580    193
   1428.71   3.575    272
   1426.51   3.570     59
    782.35   1.958     38
    781.13   1.955     35
    779.66   1.951     39
    777.83   1.947     77
    773.80   1.937    378
    770.63   1.929    546
    767.58   1.921   1000
    764.28   1.913    544
    761.35   1.906    390
    757.45   1.896     79
    755.37   1.891     41
    754.03   1.887     37
    753.05   1.885     38

in CDCl3