105-68-0

丙酸异戊酯(105-68-0)红外图谱(IR1)

产品名称:丙酸异戊酯

CAS:105-68-0

分子式:C8H16O2

分子量: 144.21

InChI:InChI=1S/C8H16O2/c1-4-8(9)10-6-5-7(2)3/h7H,4-6H2,1-3H3

InChIKey: XAOGXQMKWQFZEM-UHFFFAOYSA-N

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

Mass

MS-NW-5740          
isopentyl propionate
C8H16O2             (Mass of molecular ion:    144)

   Source Temperature: 260 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      26.0       1.4
      27.0      12.9
      28.0       4.5
      29.0      36.1
      30.0       1.0
      31.0       2.1
      39.0       5.5
      41.0      12.3
      42.0      13.4
      43.0      31.3
      44.0       1.3
      45.0       1.8
      53.0       1.1
      55.0      39.6
      56.0       2.8
      57.0     100.0
      58.0       3.8
      69.0       6.5
      70.0      67.7
      71.0       9.5
      72.0       1.0
      73.0       1.2
      74.0       2.0
      75.0      15.5
      85.0       2.4
      87.0       6.0
     101.0       6.7
     102.0       1.4
     115.0       1.2

in CDCl3

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₆ O₂	0.04 ml : 0.5 ml CDCl₃
isopentyl propionate

    Assign.     Shift(ppm)

      A             4.107
      B             2.31
      C             1.72
      D             1.54
      E             1.141
      F             0.927

     Hz     ppm     Int.

    374.38   4.181    192
    367.69   4.106    330
    361.00   4.031    178
    219.31   2.449     59
    218.56   2.441     55
    211.25   2.359    236
    203.63   2.274    273
    196.63   2.196     95
    195.94   2.188     82
    154.00   1.720     30
    152.81   1.707     37
    145.25   1.622     99
    143.69   1.605     74
    141.00   1.575     62
    138.88   1.551    195
    137.31   1.534     74
    133.06   1.486     84
    132.19   1.476    142
    126.19   1.409     43
    124.88   1.395     32
    109.19   1.220    337
    101.94   1.139    810
    101.44   1.133    441
     94.13   1.052    249
     93.56   1.045    130
     85.69   0.957   1000
     79.81   0.892    831

in CDCl3