106-36-5

丙酸正丙酯(106-36-5)Raman光谱

产品名称:丙酸正丙酯

CAS:106-36-5

分子式:C6H12O2

分子量: 116.16

InChI:InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3

InChIKey: MCSINKKTEDDPNK-UHFFFAOYSA-N

Smiles:C(OCCC)(=O)CC

Mass

MS-NW-0769          
propyl propionate
C6H12O2             (Mass of molecular ion:    116)

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

      26.0       1.9
      27.0      14.2
      28.0       4.6
      29.0      33.1
      30.0       1.0
      31.0       4.6
      39.0       3.3
      41.0      10.7
      42.0       9.7
      43.0      21.0
      56.0       2.1
      57.0     100.0
      58.0       3.7
      59.0       5.5
      74.0       3.3
      75.0      41.5
      76.0       1.5
      87.0       8.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₆ H₁₂ O₂	0.04 ml : 0.5 ml CDCl₃
propyl propionate

    Assign.     Shift(ppm)

      A             4.032
      B             2.320
      C             1.647
      D             1.145
      E             0.948

     Hz     ppm     Int.

    367.94   4.109    266
    361.31   4.035    553
    354.69   3.961    296
    220.38   2.461     66
    219.63   2.453     70
    212.25   2.370    295
    204.63   2.285    344
    197.69   2.208    104
    197.00   2.200    104
    165.63   1.850     30
    160.13   1.788     37
    158.44   1.770     96
    153.44   1.714     41
    152.00   1.698    143
    151.38   1.691    142
    145.44   1.624    104
    144.50   1.614    196
    137.63   1.537    131
    136.94   1.530     71
    131.38   1.467     30
    130.31   1.456     32
    109.75   1.226    401
    102.44   1.144   1000
    101.94   1.139    591
     94.63   1.057    301
     94.06   1.051    173
     92.13   1.029    177
     91.44   1.021    343
     90.81   1.014    236
     88.94   0.994     38
     88.31   0.987     30
     84.56   0.945    690
     83.75   0.936    376
     77.56   0.867    110
     76.75   0.857    206
     75.81   0.847    121

in CDCl3