110-27-0

肉豆蔻酸異丙酯(110-27-0)核磁圖(¹³CNMR)

產(chǎn)品名稱(chēng):肉豆蔻酸異丙酯

CAS:110-27-0

分子式:C17H34O2

分子量: 270.45

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

InChIKey: AXISYYRBXTVTFY-UHFFFAOYSA-N

Smiles:C(OC(C)C)(=O)CCCCCCCCCCCCC

Mass

MS-NW-1760          
isopropyl myristate
C17H34O2            (Mass of molecular ion:    270)

   Source Temperature: 250 °C
   Sample Temperature: 180 °C
   Reservoir, 75 eV

      15.0       1.0
      18.0       2.7
      27.0      16.3
      28.0       4.5
      29.0      27.2
      39.0       7.5
      40.0       1.9
      41.0      50.3
      42.0      15.2
      43.0     100.0
      44.0       3.4
      45.0       2.4
      53.0       1.8
      54.0       3.0
      55.0      28.5
      56.0       9.2
      57.0      40.8
      58.0       2.1
      59.0      15.9
      60.0      56.1
      61.0      16.5
      67.0       3.8
      68.0       2.6
      69.0      16.0
      70.0       5.0
      71.0      19.8
      72.0       1.1
      73.0      21.5
      74.0       3.9
      81.0       3.5
      82.0       2.2
      83.0       9.6
      84.0       5.6
      85.0      11.7
      87.0       6.5
      95.0       3.4
      96.0       1.7
      97.0       7.0
      98.0       6.3
      99.0       3.6
     101.0       2.8
     102.0      43.2
     103.0       5.7
     109.0       1.8
     111.0       4.0
     112.0       1.9
     113.0       2.2
     115.0       3.8
     116.0       1.4
     125.0       2.2
     127.0       1.0
     129.0      11.2
     130.0       1.2
     139.0       1.0
     143.0       2.6
     157.0       1.2
     168.0       1.2
     171.0       2.1
     185.0       6.1
     211.0      13.1
     212.0       2.1
     228.0      23.7
     229.0      14.0
     230.0       2.0
     270.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₁₇ H₃₄ O₂	0.04 ml : 0.5 ml CDCl₃
isopropyl myristate

    Assign.     Shift(ppm)

      A             5.003
      B             2.25
      C             1.59
      D             1.26
      E             1.24
      F             0.89

     Hz     ppm     Int.

    448.00   5.003     28
    202.06   2.257     33
    194.44   2.172     28
    112.75   1.259   1000
    106.50   1.190    401
     78.75   0.880     58

in CDCl3