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687-47-8

L(-)-乳酸乙酯(687-47-8)核磁图(13CNMR)

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

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    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

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

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

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liquid film

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