19329-89-6

乳酸異戊酯(19329-89-6)質(zhì)譜(MS)

產(chǎn)品名稱:乳酸異戊酯

CAS:19329-89-6

分子式:C8H16O3

分子量: 160.21

InChI:InChI=1S/C8H16O3/c1-6(2)4-5-11-8(10)7(3)9/h6-7,9H,4-5H2,1-3H3

InChIKey: CRORGGSWAKIXSA-UHFFFAOYSA-N

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

Mass

MS-NW-5733          
isopentyl lactate
C8H16O3             (Mass of molecular ion:    160)

   Source Temperature: 280 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       3.0
      18.0       1.1
      19.0       2.5
      26.0       1.2
      27.0      12.7
      28.0       3.2
      29.0      12.1
      31.0       3.9
      39.0       5.7
      40.0       1.0
      41.0      18.9
      42.0      10.6
      43.0      67.8
      44.0       3.0
      45.0     100.0
      46.0       3.0
      53.0       1.0
      55.0      25.4
      56.0       4.3
      57.0       5.1
      59.0       2.4
      63.0       1.1
      69.0       3.5
      70.0      34.7
      71.0      25.0
      72.0       1.6
      73.0       1.3
      74.0       1.4
      75.0       3.5
      87.0       1.8
      89.0       2.1
      91.0       1.9
     115.0       1.6

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₈ H₁₆ O₃	0.04 ml : 0.5 ml CDCl₃
isopentyl lactate

    Assign.     Shift(ppm)

      A             4.21
      B             4.15
      C             3.31
      D             1.72
      E             1.58
      F             1.41
      G             0.935

     Hz     ppm     Int.

    392.69   4.385     48
    387.31   4.325     54
    385.69   4.307    148
    384.00   4.288    162
    380.56   4.250     64
    378.75   4.230    185
    377.38   4.214    288
    375.00   4.188     52
    374.13   4.178     53
    373.81   4.174     56
    371.75   4.151    106
    370.88   4.142    162
    367.00   4.098     35
    364.13   4.066     56
    361.19   4.033     46
    358.06   3.998     59
    296.94   3.316    201
    147.88   1.652    105
    146.69   1.638     91
    146.00   1.631     94
    142.13   1.587    202
    140.19   1.566    128
    139.50   1.558    114
    137.38   1.534     90
    137.25   1.533     90
    135.44   1.513    146
    134.13   1.498    168
    131.00   1.463    272
    130.00   1.452    766
    128.31   1.433    106
    127.13   1.420    127
    124.13   1.386    242
    123.06   1.375    684
     86.50   0.966   1000
     83.50   0.933    169
     80.56   0.900    841

in CDCl3