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616-06-8

DL-正亮氨酸(616-06-8)红外图谱(IR2)

产品名称:DL-正亮氨酸

CAS:616-06-8

分子式:C6H13NO2

分子量: 131.17

InChI:InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1

InChIKey: LRQKBLKVPFOOQJ-YFKPBYRVSA-N

Smiles:C(O)(=O)[C@H](CCCC)N

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    Mass

    MS-NW-9311          
    DL-norleucine
    C6H13NO2            (Mass of molecular ion:    131)
    

       Source Temperature: 170 °C
       Sample Temperature: 130 °C
       Direct, 75 eV
    

          18.0       5.5
          27.0       4.1
          28.0       8.8
          29.0       4.5
          30.0      51.0
          39.0       2.2
          41.0      11.1
          42.0       3.4
          43.0       7.8
          44.0      11.3
          46.0       1.8
          56.0       3.2
          57.0       3.2
          69.0       9.0
          70.0       1.1
          74.0      21.5
          75.0       2.4
          86.0     100.0
          87.0       6.5
    

400 MHz in D2O at +60.C

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    1H NMR 399.65 MHz
    C6 H13 N O2 saturated in D2O at 60 C
    DL-norleucine
    ChemicalStructure
        Assign.     Shift(ppm)
    A 3.725 B 1.860 C 1.37 D 0.904

         Hz     ppm     Int.
    

       1495.12   3.742    127
       1489.50   3.728    161
       1488.28   3.724    166
       1482.67   3.710    133
        751.71   1.881     81
        746.22   1.868     93
        740.84   1.854     92
        734.38   1.838     85
        548.95   1.374    457
        545.78   1.366    323
        544.31   1.362    285
        542.24   1.357    382
        368.65   0.923    406
        367.55   0.920    198
        365.97   0.916    157
        363.89   0.911    220
        361.57   0.905   1000
        357.91   0.896    185
        355.96   0.891    142
        354.25   0.887    314
    

in D2O (at 49.C)

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KBr disc

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nujol mull

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4880 A,200 M,powder

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