687-47-8

L(-)-乳酸乙酯(687-47-8)质谱(MS)

产品名称:L(-)-乳酸乙酯

CAS:687-47-8

分子式:C5H10O3

分子量: 118.13

InChI:InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3/t4-/m0/s1

InChIKey: LZCLXQDLBQLTDK-BYPYZUCNSA-N

Smiles:C(OCC)(=O)[C@@H](O)C

Mass

MS-IW-3855          
ethyl L-(-)-lactate
C5H10O3             (Mass of molecular ion:    118)

   Source Temperature: 200 °C
   Sample Temperature: 150 °C
   Reservoir, 75 eV

      15.0       2.7
      19.0       7.1
      26.0       1.8
      27.0      12.4
      28.0       4.4
      29.0      23.9
      30.0       1.3
      31.0       2.3
      42.0       1.3
      43.0      10.8
      44.0       2.7
      45.0     100.0
      46.0       5.0
      47.0       3.1
      56.0       1.7
      75.0      12.3
     103.0       1.1

400 MHz in CDCl3

parameter in CDCl3

¹H NMR	399.65 MHz
C₅ H₁₀ O₃	0.05 ml : 0.5 ml CDCl₃
ethyl L-lactate

    Assign.     Shift(ppm)

      A             4.280
      B             4.232
      C             3.52
      D             1.415
      E             1.297

     Hz     ppm     Int.

   1721.44   4.308     52
   1714.48   4.290    145
   1707.64   4.273    149
   1702.15   4.260    185
   1698.85   4.251     38
   1695.07   4.242    440
   1691.65   4.233     30
   1687.87   4.224    457
   1683.96   4.214     34
   1680.66   4.206    197
   1406.74   3.520     61
    572.88   1.434     50
    569.21   1.425    950
    562.26   1.407    947
    558.47   1.398     59
    525.51   1.315    670
    522.95   1.309     34
    521.85   1.306     33
    518.31   1.297   1000
    511.11   1.279    662
    507.69   1.271     50

¹H NMR	300 MHz
C₅ H₁₀ O₃	0.05 ml : 0.5 ml CDCl₃
ethyl L-lactate

    Parameter     ppm  Hz

      D(A)         4.280
      D(B)         1.415
       J(A,B)          6.8
     
      D(C)         3.52
     
      D(D)         4.232
      D(E)         1.297
       J(D,E)          7.2

     Hz     ppm     Int.

   1294.23   4.314     82
   1287.43   4.291    245
   1280.58   4.269    389
   1273.27   4.244    514
   1266.04   4.220    492
   1258.85   4.196    169
   1056.00   3.520     40
    427.88   1.426   1000
    421.11   1.404    985
    396.28   1.321    502
    389.11   1.297    989
    381.88   1.273    483

in CDCl3