112-13-0

癸酰氯(112-13-0)質(zhì)譜(MS)

產(chǎn)品名稱:癸酰氯

CAS:112-13-0

分子式:C10H19ClO

分子量: 190.71

InChI:InChI=1S/C10H19ClO/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3

InChIKey: IPIVAXLHTVNRBS-UHFFFAOYSA-N

Smiles:C(Cl)(=O)CCCCCCCCC

Mass

MS-NW-0858          
decanoyl chloride
C10H19ClO           (Mass of molecular ion:    190)

   Source Temperature: 280 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       2.1
      26.0       3.7
      27.0      51.5
      28.0      13.4
      29.0      46.9
      30.0       1.1
      35.0       1.5
      36.0       2.1
      38.0       2.1
      39.0      41.0
      40.0       7.7
      41.0     100.0
      42.0      26.1
      43.0      60.8
      44.0       2.2
      50.0       1.5
      51.0       3.0
      52.0       1.4
      53.0      10.2
      54.0      11.7
      55.0      70.6
      56.0      23.3
      57.0      30.8
      58.0       1.5
      60.0       4.2
      63.0       3.6
      64.0       1.0
      65.0       2.8
      66.0       1.5
      67.0      10.1
      68.0      12.0
      69.0      28.3
      70.0      16.6
      71.0      20.0
      72.0       1.5
      73.0       4.4
      77.0       2.1
      78.0       5.5
      79.0       4.1
      80.0       2.5
      81.0      12.0
      82.0       7.6
      83.0      23.2
      84.0      61.3
      85.0       9.1
      86.0       2.2
      87.0       1.0
      91.0       4.9
      93.0       3.4
      94.0       2.7
      95.0       6.1
      96.0       1.3
      97.0      19.9
      98.0      78.1
      99.0       6.4
     100.0       1.0
     102.0       3.0
     104.0       1.2
     105.0       1.4
     107.0       2.6
     108.0       1.6
     110.0      25.5
     111.0      12.9
     112.0      15.7
     113.0       1.6
     116.0       2.2
     121.0       1.3
     125.0       2.7
     126.0       2.5
     127.0       1.0
     128.0       1.6
     129.0       2.2
     136.0       4.1
     137.0       2.4
     154.0       2.2
     155.0      52.5
     156.0       6.0
     172.0       1.1
     174.0       1.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₀ H₁₉ Cl O	0.04 ml : 0.5 ml CDCl₃
decanoyl chloride

    Assign.     Shift(ppm)

      A             2.872
      B             1.71
      C             1.41
      D             1.27
      E             0.888

     Hz     ppm     Int.

    264.94   2.959    117
    264.50   2.954    109
    257.75   2.878    303
    250.75   2.800    194
    250.31   2.795    204
    160.19   1.789     40
    159.69   1.784     38
    158.25   1.767     32
    157.94   1.764     30
    157.63   1.761     31
    156.50   1.748     34
    152.88   1.708     63
    150.25   1.678     37
    149.19   1.666     36
    148.69   1.661     37
    147.44   1.647     40
    146.25   1.633     44
    145.50   1.625     43
    126.63   1.414     57
    126.06   1.408     59
    125.75   1.405     59
    124.94   1.396     60
    114.19   1.276   1000
    105.13   1.174     34
     84.00   0.938     93
     82.06   0.917     75
     81.94   0.915     75
     81.56   0.911     75
     81.13   0.906     73
     79.00   0.883    323
     75.25   0.841     42
     72.94   0.815     63
     71.88   0.803     48

in CDCl3