6309-51-9

月桂酸异戊酯(6309-51-9)Raman光谱

产品名称:月桂酸异戊酯

CAS:6309-51-9

分子式:C17H34O2

分子量: 270.45

InChI:InChI=1S/C17H34O2/c1-4-5-6-7-8-9-10-11-12-13-17(18)19-15-14-16(2)3/h16H,4-15H2,1-3H3

InChIKey: FVKRIDSRWFEQME-UHFFFAOYSA-N

Smiles:C(OCCC(C)C)(=O)CCCCCCCCCCC

Mass

MS2016-05349CW      
isopentyl dodecanoate
C17H34O2            (Mass of molecular ion:    270)

   Source Temperature: 250 °C
   Sample Temperature:  20 °C
   Direct, 70 eV

      27.0       1.3
      29.0       3.2
      39.0       1.1
      41.0       8.0
      42.0       3.4
      43.0      23.6
      55.0      12.6
      56.0       2.1
      57.0       8.8
      60.0       2.5
      61.0       1.2
      67.0       1.1
      69.0       5.1
      70.0     100.0
      71.0      38.9
      72.0       2.0
      73.0       3.9
      81.0       1.2
      83.0       2.7
      84.0       1.9
      85.0       3.7
      87.0       1.5
      95.0       2.2
      97.0       2.2
      98.0       2.1
     101.0       1.6
     109.0       1.5
     115.0       3.5
     129.0       3.2
     130.0       2.3
     131.0       1.7
     143.0       3.2
     157.0       3.1
     171.0       1.4
     183.0      21.6
     184.0       2.9
     199.0       1.1
     200.0       7.3
     201.0      12.2
     202.0       1.6
     227.0       2.9
     255.0       1.1
     270.0       3.5
     271.0       1.1

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₇ H₃₄ O₂	0.04 ml : 0.5 ml CDCl₃
isopentyl dodecanoate

    Assign.     Shift(ppm)

      A             4.097
      B             2.27
      C             1.60
      D             1.26
      E             0.92
      F             0.88

     Hz     ppm     Int.

    373.63   4.172     63
    366.88   4.097    110
    360.25   4.023     61
    212.50   2.373     28
    211.44   2.361     23
    204.94   2.289     67
    197.75   2.209     51
    197.31   2.204     51
    146.56   1.637     45
    144.81   1.617     64
    143.31   1.601     58
    138.25   1.544     88
    136.94   1.530     51
    131.56   1.469     66
    112.94   1.262   1000
     85.44   0.954    454
     79.50   0.888    389

in CDCl3