638-11-9

丁酸异丙基酯(638-11-9)质谱(MS)

产品名称:丁酸异丙基酯

CAS:638-11-9

分子式:C7H14O2

分子量: 130.18

InChI:InChI=1S/C7H14O2/c1-4-5-7(8)9-6(2)3/h6H,4-5H2,1-3H3

InChIKey: FFOPEPMHKILNIT-UHFFFAOYSA-N

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

Mass

MS2015-05128CW      
isopropyl butyrate
C7H14O2             (Mass of molecular ion:    130)

   Source Temperature: 250 °C
   Sample Temperature: 250 °C
   Reservoir, 70 eV

      15.0       1.4
      26.0       1.5
      27.0      13.2
      29.0       1.5
      31.0       1.0
      32.0       5.0
      37.0       1.7
      38.0       3.0
      39.0      16.1
      40.0       4.2
      41.0      35.2
      42.0      14.4
      43.0      90.4
      44.0       3.4
      45.0       2.9
      55.0       2.1
      59.0      15.3
      60.0      17.8
      71.0     100.0
      72.0       4.9
      73.0      11.9
      88.0      18.7
      89.0      45.2
      90.0       2.3
     102.0       5.2
     115.0      13.4

90 MHz in CDCl3

in CDCl3

¹H NMR	89.56 MHz
C₇ H₁₄ O₂	0.04 ml : 0.5 ml CDCl₃
isopropyl butyrate

    Assign.     Shift(ppm)

      A             5.011
      B             2.238
      C             1.645
      D             1.229
      E             0.951

     Hz     ppm     Int.

    455.06   5.082     53
    448.75   5.011     71
    442.50   4.941     56
    209.19   2.336     53
    208.00   2.323     61
    201.56   2.251     99
    201.06   2.245    116
    194.44   2.172     94
    193.69   2.163    105
    158.19   1.767     34
    151.25   1.689     72
    150.13   1.677     39
    144.25   1.611     50
    143.44   1.602     46
    142.94   1.597     59
    136.38   1.523     43
    135.81   1.517     33
    113.19   1.264   1000
    111.00   1.240     30
    106.88   1.194    951
     92.19   1.030     73
     91.44   1.021    138
     84.56   0.945    283
     83.94   0.938    148
     77.88   0.870     47
     76.94   0.860     81
     75.94   0.848     42