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Back ChemicalBook Home>CAS DataBase List>13734-41-3More Spectrum> N-Boc-L-valine(13734-41-3) IR1

N-Boc-L-valine(13734-41-3) IR1

Product NameN-Boc-L-valine

CAS13734-41-3

Molecular FormulaC10H19NO4

Molecular Weight217.26

InChIInChI=1S/C10H19NO4/c1-6(2)7(8(12)13)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13)/t7-/m0/s1

InChIKey SZXBQTSZISFIAO-ZETCQYMHSA-N

SmilesC(O)(=O)[C@H](C(C)C)NC(OC(C)(C)C)=O


  • Mass

    MS-NW-6314          
    N(alpha)-tert-butoxycarbonyl-L-valine
    C10H19NO4           (Mass of molecular ion:    217)
    

       Source Temperature: 150 °C
       Sample Temperature: 120 °C
       Direct, 75 eV
    

          15.0       1.5
          27.0       7.1
          28.0       8.8
          29.0      14.8
          30.0       1.5
          31.0       4.1
          39.0       6.2
          40.0       1.0
          41.0      24.0
          42.0       2.1
          43.0       5.6
          44.0       1.2
          45.0       1.3
          55.0       7.1
          56.0       6.9
          57.0     100.0
          58.0       4.9
          59.0      32.3
          60.0       1.0
          72.0      36.5
          73.0       2.3
          74.0       4.8
          75.0       1.9
          98.0       3.1
         100.0       1.0
         101.0       6.9
         102.0       1.2
         116.0      26.0
         117.0       2.8
         118.0       1.1
         119.0       3.3
         144.0       2.0
         172.0       9.8
         173.0       1.0
    

400 MHz in CDCl3


  • 1H NMR 399.65 MHz
    C10 H19 N O4 0.038 g : 0.5 ml CDCl3
    N(alpha)-tert-butoxycarbonyl-L-valine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 10.9 B 6.33 B 5.09 C 4.27 C 4.03 D 2.20 E 1.450 F *1 1.00 G *1 0.94 MIXTURE OF ISOMERS DUE TO HINDERED C-N ROTATION.

         Hz     ppm     Int.
    

        579.83   1.451   1000
        404.05   1.012     68
        397.34   0.995     66
        377.04   0.944     49
        370.33   0.927     43
    

in CDCl3



KBr disc



nujol mull



4880 A,200 M,powder



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