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26348-61-8

L-丝氨酸乙酯盐酸盐(26348-61-8)Raman光谱

分子式:C5H12ClNO3

分子量: 169.61

InChI:InChI=1/C5H11NO3.ClH/c1-2-9-5(8)4(6)3-7;/h4,7H,2-3,6H2,1H3;1H/t4-;/s3

InChIKey: JZJQCLZQSHLSFB-NDILARRWNA-N

Smiles:C(=O)(OCC)[C@@H](N)CO.Cl |&1:5,r|

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    Mass

    MS-NW-9907          
    L-serine ethyl ester hydrochloride
    C5H11NO3 HCl        (Mass of molecular ion:    133)
    

       Source Temperature: 190 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          15.0       3.0
          17.0       1.3
          18.0       7.0
          19.0       1.0
          27.0       2.9
          28.0      11.6
          29.0       9.1
          30.0       5.2
          31.0       2.7
          35.0       2.3
          36.0      28.7
          38.0       9.4
          42.0      16.1
          43.0       2.6
          46.0       3.0
          57.0       2.9
          58.0       1.5
          59.0       1.1
          60.0     100.0
          61.0       2.9
          74.0      25.4
          75.0       1.1
         102.0      24.9
         103.0       5.5
         134.0       2.3
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C5 H11 N O3 0.037 g : 0.5 ml DMSO-d6
    L-serine ethyl ester hydrochloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.64 B 5.7 C 4.202 D 4.052 E 3.84 F 1.238

         Hz     ppm     Int.
    

       3454.59   8.645    140
       2263.92   5.665     40
       1690.43   4.230    126
       1683.35   4.213    402
       1676.15   4.195    414
       1669.07   4.177    134
       1623.29   4.062     83
       1619.63   4.053    193
       1616.21   4.045     99
       1536.25   3.844    193
       1534.91   3.841    191
        501.83   1.256    473
        494.75   1.238   1000
        487.55   1.220    456
    

in DMSO-d6

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KBr disc

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nujol mull

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