138-22-7

乳酸丁酯(138-22-7)質(zhì)譜(MS)

產(chǎn)品名稱:乳酸丁酯

CAS:138-22-7

分子式:C7H14O3

分子量: 146.18

InChI:InChI=1S/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3

InChIKey: MRABAEUHTLLEML-UHFFFAOYSA-N

Smiles:C(OCCCC)(=O)C(O)C

Mass

MS-NW-0098          
butyl lactate
C7H14O3             (Mass of molecular ion:    146)

   Source Temperature: 240 °C
   Sample Temperature:  95 °C
   Reservoir, 75 eV

      15.0       1.2
      18.0       2.0
      19.0       1.3
      27.0       9.7
      28.0       3.5
      29.0      16.4
      31.0       7.3
      39.0       4.2
      41.0      24.9
      42.0       3.7
      43.0      12.8
      44.0       2.1
      45.0     100.0
      46.0       2.3
      55.0       5.2
      56.0      24.0
      57.0      28.5
      58.0       1.2
      73.0       1.5
      74.0       1.1
      75.0       5.0
      85.0       6.4
      87.0       1.0
      91.0       1.5
     101.0       1.6
     102.0       1.0

90 MHz in CDCl3

¹H NMR	89.56 MHz
C₇ H₁₄ O₃	0.04 ml : 0.5 ml CDCl₃
butyl lactate

    Assign.     Shift(ppm)

      A             4.263
      B             4.178
      C             2.9
      D          1.18 to 1.85
      E             1.416
      F             0.948

     Hz     ppm     Int.

    385.75   4.308    101
    381.25   4.257    123
    378.94   4.232    117
    374.88   4.186    308
    372.00   4.154     49
    368.56   4.116    195
    155.13   1.733     50
    148.38   1.657    100
    146.50   1.636     64
    142.63   1.593     95
    142.13   1.587    100
    141.50   1.580    102
    139.75   1.561     45
    138.81   1.550     55
    136.00   1.519     85
    134.69   1.504     89
    130.13   1.453   1000
    128.63   1.437    104
    126.69   1.415     87
    125.44   1.401     45
    123.25   1.377    940
    121.00   1.352     64
    120.00   1.340     84
    118.44   1.323     44
    113.50   1.268     64
     92.00   1.028    117
     91.13   1.018    181
     90.31   1.009    167
     84.50   0.944    395
     83.06   0.928    133
     78.44   0.876     64
     77.06   0.861     86
     75.19   0.840     44

in CDCl3