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616-06-8

DL-正亮氨酸(616-06-8)質(zhì)譜(MS)

產(chǎn)品名稱(chēng):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

  • 圖譜
    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

  • 圖譜

    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)

  • 圖譜

KBr disc

  • 圖譜

nujol mull

  • 圖譜

4880 A,200 M,powder

  • 圖譜

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