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2188-18-3

N-Boc-N'-硝基-L-精氨酸(2188-18-3)质谱(MS)

分子式:C11H21N5O6

分子量: 319.31

InChI:InChI=1S/C11H21N5O6/c1-11(2,3)22-10(19)14-7(8(17)18)5-4-6-13-9(12)15-16(20)21/h7H,4-6H2,1-3H3,(H,14,19)(H,17,18)(H3,12,13,15)/t7-/m0/s1

InChIKey: OZSSOVRIEPAIMP-ZETCQYMHSA-N

Smiles:C(O)(=O)[C@H](CCCNC(=N)N[N+]([O-])=O)NC(OC(C)(C)C)=O

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    Mass

    MS-NW-9133          
    N(alpha)-tert-butoxycarbonyl-N(omega)-nitro-L-arginine
    C11H21N5O6          (Mass of molecular ion:    319)
    

       Source Temperature: 200 °C
       Sample Temperature: 160 °C
       Direct, 75 eV
    

          16.0       4.0
          17.0       4.1
          18.0      20.8
          26.0       1.8
          27.0      15.1
          28.0      26.1
          29.0       9.5
          37.0       2.3
          38.0       3.6
          39.0      37.7
          40.0      10.0
          41.0      78.1
          42.0       3.4
          43.0       1.2
          44.0     100.0
          45.0       1.5
          49.0       1.0
          50.0       4.1
          51.0       4.1
          53.0       5.3
          54.0       2.2
          55.0      30.4
          56.0      52.2
          57.0       4.3
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C11 H21 N5 O6 0.041 g : 0.5 ml DMSO-d6
    N(alpha)-tert-butoxycarbonyl-N(omega)-nitro-L-arginine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 7.07 B 3.87 C 3.13 D *1 1.68 E *1 1.55 F 1.384

         Hz     ppm     Int.
    

       2830.51   7.083     45
       2822.57   7.063     45
        673.07   1.685     27
        617.52   1.546     64
        553.13   1.385   1000
        540.92   1.354     78
    

in DMSO-d6

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KBr disk

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nujol mull

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