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Back ChemicalBook Home>CAS DataBase List>70-47-3More Spectrum> L-Asparagine(70-47-3) 13C NMR

L-Asparagine(70-47-3) 13C NMR

Product NameL-Asparagine

CAS70-47-3

Molecular FormulaC4H8N2O3

Molecular Weight132.12

InChIInChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1

InChIKey DCXYFEDJOCDNAF-REOHCLBHSA-N

SmilesC(O)(=O)[C@H](CC(N)=O)N


  • Mass

    MS-IW-2609          
    2-aminosuccinamic acid
    C4H8N2O3            (Mass of molecular ion:    132)
    

       Source Temperature: 180 °C
       Sample Temperature: 190 °C
       Direct, 75 eV
    

          14.0       1.2
          15.0       6.9
          16.0       7.1
          17.0      12.7
          18.0      38.2
          26.0       2.6
          27.0       7.0
          28.0      32.2
          29.0       3.8
          30.0       9.6
          39.0       1.1
          40.0       3.9
          41.0      10.3
          42.0      38.2
          43.0      47.9
          44.0     100.0
          45.0      11.1
          46.0       4.1
          53.0       1.3
          54.0       1.1
          55.0       3.3
          59.0      19.9
          60.0       2.7
          69.0       1.9
          70.0      33.2
          71.0       2.6
          72.0       1.1
          74.0       6.7
          86.0      10.6
          87.0     100.0
          88.0       6.2
         114.0       4.8
         115.0       1.9
    





  •        ppm   Int.  Assign.
    175.46 452 1 174.32 288 2 52.45 512 3 35.73 1000 4
    Spectral Code: 13C NMR : in D2O (PH 7.67)

KBr disc



nujol mull




  • Spectral Code: Raman : 4880 A,200 M,powder

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