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返回ChemicalBook首页>CAS数据库列表>1694-97-9更多图谱> N-(2,4-二硝基苯)-L-缬氨酸(1694-97-9)核磁图(13CNMR)

1694-97-9

N-(2,4-二硝基苯)-L-缬氨酸(1694-97-9)核磁图(13CNMR)

分子式:C11H13N3O6

分子量: 283.24

InChI:InChI=1S/C11H13N3O6/c1-6(2)10(11(15)16)12-8-4-3-7(13(17)18)5-9(8)14(19)20/h3-6,10,12H,1-2H3,(H,15,16)/t10-/m0/s1

InChIKey: AYLCDVYHZOZQKM-JTQLQIEISA-N

Smiles:C(O)(=O)[C@H](C(C)C)NC1=CC=C([N+]([O-])=O)C=C1[N+]([O-])=O

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    Mass

    MS-NW-2062          
    N-(2,4-dinitrophenyl)-L-valine
    C11H13N3O6          (Mass of molecular ion:    283)
    

       Source Temperature: 220 °C
       Sample Temperature: 240 °C
       Direct, 75 eV
    

          12.0       1.6
          15.0       3.3
          16.0       5.0
          17.0      12.7
          18.0      56.4
          26.0       3.4
          27.0      22.0
          28.0      23.6
          29.0       5.3
          30.0      12.2
          37.0       1.9
          38.0       6.6
          39.0      19.9
          40.0       5.3
          41.0      28.8
          42.0       9.6
          43.0      54.3
          44.0     100.0
          45.0       2.0
          46.0       1.2
          50.0       5.7
          51.0       7.9
          52.0      12.4
          53.0       4.9
          54.0       3.7
          55.0       7.1
          56.0       1.3
          57.0       1.4
          59.0       1.4
          61.0       1.9
          62.0       6.7
          63.0      21.6
          64.0       9.8
          65.0       4.9
          66.0       4.4
          67.0       2.0
          68.0       2.7
          69.0       2.8
          70.0       3.7
          71.0      10.2
          72.0       2.8
          74.0       3.6
          75.0       9.7
          76.0       7.2
          77.0       9.5
          78.0      13.4
          79.0       5.5
          80.0       4.5
          81.0       1.0
          88.0       2.0
          89.0       4.2
          90.0      15.3
          91.0       8.7
          92.0       4.0
          93.0       4.1
          94.0       2.2
          95.0       1.2
         102.0       3.3
         103.0       5.3
         104.0       4.4
         105.0       7.8
         106.0       4.2
         107.0       3.7
         108.0       1.1
         109.0       1.5
         115.0       1.5
         116.0       5.7
         117.0       9.2
         118.0      15.0
         119.0       9.0
         120.0       4.4
         121.0       3.4
         122.0       1.0
         129.0       1.6
         130.0       3.9
         131.0       4.6
         132.0       5.0
         133.0       9.1
         134.0       6.5
         135.0       2.0
         136.0       1.0
         137.0       2.3
         142.0       1.7
         143.0       8.5
         144.0      48.8
         145.0       9.7
         146.0       4.3
         147.0       2.9
         148.0       2.2
         149.0       4.7
         150.0       1.1
         152.0       1.0
         153.0       2.6
         156.0       1.9
         157.0       8.0
         158.0      18.8
         159.0      12.9
         160.0      15.6
         161.0       4.1
         162.0       1.5
         163.0       5.0
         164.0      14.3
         165.0       2.1
         166.0       3.8
         167.0       2.9
         170.0       1.6
         172.0       1.6
         173.0       4.1
         174.0       4.2
         175.0       9.9
         176.0       8.7
         177.0       5.4
         178.0       2.2
         179.0       7.5
         180.0       3.3
         187.0       2.1
         188.0       1.4
         189.0       9.8
         190.0      76.1
         191.0      10.5
         192.0       2.5
         193.0       7.3
         194.0       1.9
         195.0       1.4
         202.0       1.2
         203.0       7.1
         204.0      18.8
         205.0      44.4
         206.0      12.0
         207.0       3.1
         220.0       1.1
         221.0      17.1
         222.0       3.4
         237.0       3.6
         238.0       7.2
         240.0       1.3
    

400 MHz in DMSO-d6

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    1H NMR 399.65 MHz
    C11 H13 N3 O6 0.038 g : 0.5 ml DMSO-d6
    N-(2,4-dinitrophenyl)-L-valine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 8.964 B 8.878 C 8.282 D 7.26 E 4.602 F 2.312 G *1 1.067 J *1 0.980

         Hz     ppm     Int.
    

       3586.73   8.975    214
       3578.64   8.955    224
       3549.80   8.883    687
       3547.06   8.876    710
       3316.50   8.299    203
       3313.90   8.293    202
       3307.04   8.275    222
       3304.29   8.268    221
       2905.43   7.270    398
       2895.66   7.246    381
       1845.55   4.618    174
       1841.28   4.608    184
       1837.62   4.599    187
       1833.34   4.588    184
        935.82   2.342     35
        933.38   2.336     74
        929.11   2.325     81
        926.51   2.319    107
        922.39   2.308    109
        919.80   2.302     87
        915.53   2.291     82
        913.09   2.285     42
        908.66   2.274     33
        429.84   1.076   1000
        422.97   1.059    983
        414.12   1.037     34
        413.36   1.035     35
        395.20   0.989    944
        388.34   0.972    928
        378.72   0.948     32
    

in DMSO-d6

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KBr disc

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nujol mull

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