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Back ChemicalBook Home>CAS DataBase List>617-27-6More Spectrum> Ethyl 2-aminopropanoate hydrochloride(617-27-6) 13C NMR

Ethyl 2-aminopropanoate hydrochloride(617-27-6) 13C NMR

Molecular FormulaC5H12ClNO2

Molecular Weight153.61

InChIInChI=1S/C5H11NO2.ClH/c1-3-8-5(7)4(2)6;/h4H,3,6H2,1-2H3;1H

InChIKey JCXLZWMDXJFOOI-UHFFFAOYSA-N

SmilesC(=O)(C(N)C)OCC.Cl


  • Mass

    MS-NW-9949          
    DL-alanine ethyl ester hydrochloride
    C5H11NO2 HCl        (Mass of molecular ion:    117)
    

       Source Temperature: 140 °C
       Sample Temperature: 100 °C
       Direct, 75 eV
    

          15.0       1.2
          17.0       1.1
          18.0      11.3
          27.0       2.7
          28.0       4.2
          29.0       3.6
          35.0       1.7
          36.0      20.5
          38.0       6.7
          42.0       4.1
          43.0       1.8
          44.0     100.0
          45.0       3.4
          74.0       3.2
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C5 H11 N O2 0.047 g : 0.5 ml CDCl3
    DL-alanine ethyl ester hydrochloride
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.68 B 4.29 C 4.259 D 1.727 E 1.298

         Hz     ppm     Int.
    

       3471.68   8.687    203
       1722.78   4.311     30
       1717.41   4.298     71
       1713.99   4.289    117
       1712.04   4.284    113
       1710.21   4.280     87
       1706.79   4.271    268
       1704.96   4.267    258
       1699.58   4.253    255
       1697.75   4.249    238
       1694.21   4.240     45
       1692.38   4.235     88
       1690.67   4.231     78
       1687.01   4.222     30
        693.97   1.737    580
        686.65   1.719    566
        525.88   1.316    490
        518.80   1.299   1000
        511.60   1.281    478
    

in CDCl3



KBr disc



nujol mull



Ethyl 2-aminopropanoate hydrochloride(617-27-6) 13C NMR Atlas of Related Products

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