110-45-2

甲酸异戊酯(110-45-2)质谱(MS)

产品名称:甲酸异戊酯

CAS:110-45-2

分子式:C6H12O2

分子量: 116.16

InChI:InChI=1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3

InChIKey: XKYICAQFSCFURC-UHFFFAOYSA-N

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

Mass

MS-NW-0038          
isopentyl formate
C6H12O2             (Mass of molecular ion:    116)

   Source Temperature: 210 °C
   Sample Temperature:  25 °C
   Reservoir, 75 eV

      15.0       1.5
      18.0       1.3
      26.0       1.0
      27.0      18.0
      28.0      15.0
      29.0      24.7
      31.0      22.3
      39.0      14.2
      40.0       2.4
      41.0      47.4
      42.0      45.5
      43.0      45.0
      44.0       1.4
      45.0       7.7
      47.0       5.3
      53.0       2.7
      54.0       2.1
      55.0     100.0
      56.0      13.0
      57.0      29.4
      58.0       1.2
      59.0       1.5
      60.0       4.0
      69.0       5.4
      70.0      85.4
      71.0       5.6
      73.0      18.0
      74.0      19.7
      75.0       1.0

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₂ O₂	0.05 ml : 0.5 ml CDCl₃
isopentyl formate

    Assign.     Shift(ppm)

      A             8.055
      B             4.201
      C             1.713
      D             1.561
      E             0.935

     Hz     ppm     Int.

   3219.48   8.056    243
   1686.65   4.221    141
   1685.79   4.219    148
   1679.81   4.204    267
   1678.96   4.202    287
   1672.97   4.187    147
   1672.12   4.184    159
    698.73   1.749     35
    692.02   1.732     65
    685.18   1.715     79
    678.34   1.698     71
    671.75   1.681     43
    634.03   1.587    104
    627.08   1.570    258
    620.24   1.552    243
    613.28   1.535     84
    377.32   0.945    978
    370.73   0.928   1000

in CDCl3