10521-49-0

甘氨酰-D-缬氨酸(10521-49-0)红外图谱(IR2)

产品名称:甘氨酰-D-缬氨酸

CAS:10521-49-0

分子式:C7H14N2O3

分子量: 174.2

InChI:InChI=1S/C7H14N2O3/c1-4(2)6(7(11)12)9-5(10)3-8/h4,6H,3,8H2,1-2H3,(H,9,10)(H,11,12)/t6-/m1/s1

InChIKey: STKYPAFSDFAEPH-ZCFIWIBFSA-N

Smiles:C(O)(=O)[C@@H](C(C)C)NC(=O)CN

Mass

MS-NW-2397          
glycyl-D-valine
C7H14N2O3           (Mass of molecular ion:    174)

   Source Temperature: 230 °C
   Sample Temperature: 160 °C
   Direct, 75 eV

      17.0       2.1
      18.0      10.5
      27.0       3.6
      28.0       9.7
      29.0       3.5
      30.0     100.0
      31.0       8.2
      39.0       2.7
      41.0       4.7
      42.0       1.9
      43.0       4.1
      44.0       1.2
      55.0       4.3
      56.0       3.3
      57.0       5.3
      59.0       1.4
      69.0       1.7
      70.0       3.0
      72.0       9.5
      74.0       1.0
      75.0       1.0
      85.0       4.1
      86.0       1.3
     113.0       3.5
     114.0      17.8
     115.0       1.2
     129.0       1.3
     130.0       1.0
     174.0       1.5

400 MHz in D2O

¹H NMR	399.65 MHz
C₇ H₁₄ N₂ O₃	0.033 g : 0.5 ml D₂O
glycyl-D-valine

    Assign.     Shift(ppm)

      A             4.099
      B             3.888
      C             2.149
      D     *1      0.945
      E     *1      0.907
     
     THE SOLVENT PEAK SUPPRESSED.

     Hz     ppm     Int.

   1641.11   4.107    277
   1635.62   4.093    272
   1554.08   3.889   1000
    875.61   2.191     29
    868.77   2.174     80
    866.21   2.168     22
    863.04   2.160    101
    861.94   2.157    119
    856.20   2.143    121
    855.10   2.140    103
    851.93   2.132     22
    849.37   2.126     85
    842.65   2.109     32
    381.35   0.955    950
    374.39   0.937    919
    365.97   0.916    987
    359.13   0.899    945

in DMSO-d6