644-49-5

2-甲基丙酸丙酯(644-49-5)红外图谱(IR2)

产品名称:2-甲基丙酸丙酯

CAS:644-49-5

分子式:C7H14O2

分子量: 130.18

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

InChIKey: AZFUASHXSOTBNU-UHFFFAOYSA-N

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

Mass

MS-NW-0768          
propyl isobutyrate
C7H14O2             (Mass of molecular ion:    130)

   Source Temperature: 220 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      18.0       2.7
      26.0       1.1
      27.0      13.6
      28.0       2.4
      29.0       2.0
      31.0       2.7
      39.0       6.3
      40.0       1.4
      41.0      21.6
      42.0      13.3
      43.0     100.0
      44.0       3.3
      57.0       1.3
      59.0       4.0
      71.0      60.4
      72.0       2.7
      73.0       3.4
      88.0       2.1
      89.0      45.9
      90.0       2.1
     101.0       3.3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₁₄ O₂	0.04 ml : 0.5 ml CDCl₃
propyl isobutyrate

    Assign.     Shift(ppm)

      A             4.025
      B             2.529
      C             1.646
      D             1.169
      E             0.950

     Hz     ppm     Int.

    367.38   4.103    166
    360.75   4.029    350
    354.19   3.955    188
    234.75   2.622     50
    227.88   2.545     60
    220.75   2.465     60
    214.00   2.390     35
    158.31   1.768     54
    151.94   1.697     77
    151.25   1.689     73
    150.69   1.683     53
    145.50   1.625     60
    144.31   1.612    105
    143.38   1.601     35
    137.69   1.538     73
    137.00   1.530     39
    108.00   1.206   1000
    105.69   1.181     40
    104.06   1.162     30
    103.56   1.157     36
    101.06   1.129    815
     98.69   1.102     37
     92.25   1.031     93
     91.56   1.023    186
     90.94   1.016    133
     84.69   0.946    386
     83.88   0.937    210
     77.75   0.869     60
     76.88   0.859    116
     75.88   0.848     67

in CDCl3