123-04-6

氯代異辛烷(123-04-6)紅外圖譜(IR1)

產(chǎn)品名稱:氯代異辛烷

CAS:123-04-6

分子式:C8H17Cl

分子量: 148.67

InChI:InChI=1S/C8H17Cl/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3

InChIKey: WLVCBAMXYMWGLJ-UHFFFAOYSA-N

Smiles:CCC(CCl)CCCC

¹HNMR

¹³CNMR

IR1

Mass

MS-KW-0164          
3-(chloromethyl)heptane
C8H17Cl             (Mass of molecular ion:    148)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      27.0       5.5
      29.0       8.8
      36.0       1.8
      39.0       4.2
      41.0      19.2
      42.0       3.7
      43.0      19.1
      53.0       1.6
      55.0      20.4
      56.0       7.0
      57.0     100.0
      58.0       4.5
      69.0       4.2
      70.0       5.9
      71.0       1.5
      83.0       5.4
      98.0       6.0
      99.0      18.4
     100.0       1.4
     112.0       1.7
     119.0       2.8

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₈ H₁₇ Cl	0.05 ml : 0.5 ml CDCl₃
3-(chloromethyl)heptane

    Assign.     Shift(ppm)

      A     *1      3.543
      B     *1      3.526
      C             1.590
      D             1.43
      E             1.30
      F             0.906
      G             0.894

     Hz     ppm     Int.

   1426.88   3.571     42
   1422.00   3.559     51
   1416.14   3.544    391
   1414.18   3.539    393
   1411.13   3.531    384
   1409.06   3.526    381
   1403.32   3.512     45
   1398.19   3.499     42
    636.23   1.592     90
    630.00   1.577     82
    588.75   1.474     65
    582.15   1.457    112
    581.18   1.455    156
    574.71   1.439    252
    573.73   1.436    189
    568.48   1.423    178
    567.26   1.420    270
    564.82   1.414     68
    561.16   1.405    179
    560.06   1.402    131
    557.13   1.395     93
    553.59   1.386    134
    550.66   1.378     72
    547.12   1.369    112
    544.19   1.362     96
    540.65   1.353     80
    538.33   1.348    153
    535.89   1.341     86
    532.35   1.333    122
    530.27   1.327    153
    528.08   1.322    133
    524.90   1.314    225
    520.75   1.304    247
    516.97   1.294    203
    514.65   1.288    151
    513.31   1.285    157
    510.13   1.277    138
    509.16   1.275    107
    507.08   1.269     82
    505.37   1.265     78
    504.03   1.262     67
    501.71   1.256     88
    369.02   0.924    308
    366.82   0.918    217
    364.87   0.913    630
    362.18   0.907    677
    359.74   0.901    178
    357.30   0.895   1000
    355.10   0.889    375
    352.05   0.881     85
    349.85   0.876    472

in CDCl3