3386-33-2

氯代十八烷(3386-33-2)质谱(MS)

产品名称:氯代十八烷

CAS:3386-33-2

分子式:C18H37Cl

分子量: 288.94

InChI:InChI=1S/C18H37Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3

InChIKey: VUQPJRPDRDVQMN-UHFFFAOYSA-N

Smiles:C(Cl)CCCCCCCCCCCCCCCCC

Mass

MS-NW-1570          
octadecyl chloride
C18H37Cl            (Mass of molecular ion:    288)

   Source Temperature: 240 °C
   Sample Temperature: 170 °C
   Reservoir, 75 eV

      18.0       1.0
      27.0       6.1
      28.0       1.2
      29.0      17.1
      39.0       3.9
      41.0      35.3
      42.0       9.1
      43.0      72.8
      44.0       2.4
      53.0       1.8
      54.0       3.3
      55.0      39.7
      56.0      16.1
      57.0     100.0
      58.0       4.5
      67.0       3.5
      68.0       3.5
      69.0      30.4
      70.0      13.8
      71.0      59.6
      72.0       3.4
      77.0       1.0
      81.0       1.8
      82.0       4.1
      83.0      21.0
      84.0       9.5
      85.0      36.6
      86.0       2.4
      91.0      33.5
      92.0       1.4
      93.0      10.8
      96.0       2.1
      97.0      15.4
      98.0       6.4
      99.0       9.6
     104.0       1.6
     105.0      11.2
     106.0       1.3
     107.0       3.7
     111.0       6.6
     112.0       4.7
     113.0       5.9
     119.0       5.0
     121.0       1.7
     125.0       2.7
     126.0       3.4
     127.0       3.9
     133.0       4.0
     135.0       1.3
     139.0       1.1
     140.0       2.4
     141.0       2.7
     147.0       3.4
     149.0       1.1
     154.0       1.5
     155.0       1.8
     161.0       2.5
     168.0       1.0
     169.0       1.5
     175.0       2.0
     189.0       1.6
     203.0       1.5
     217.0       1.4
     231.0       1.2
     245.0       1.0
     288.0       2.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₈ H₃₇ Cl	0.04 ml : 0.5 ml CDCl₃
octadecyl chloride

    Assign.     Shift(ppm)

      A             3.52
      B             1.77
      C             1.44
      D             1.26
      E             0.88

     Hz     ppm     Int.

    322.25   3.599     24
    315.56   3.524     63
    309.06   3.451     36
    112.75   1.259   1000
     78.81   0.880     50

in CDCl3

CCl4 solution

liquid film

4880 A,200 M,liquid

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