L-Valine methyl ester hydrochloride(6306-52-1) MS

Product NameL-Valine methyl ester hydrochloride

CAS 6306-52-1

Molecular FormulaC6H13NO2.ClH

Molecular Weight167.63

InChIInChI=1/C6H13NO2.ClH/c1-4(2)5(7)6(8)9-3;/h4-5H,7H2,1-3H3;1H/t5-;/s3

InChIKey KUGLDBMQKZTXPW-USHJBNIQNA-N

Smiles[C@H](N)(C(C)C)C(=O)OC.Cl |&1:0,r|

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L-Valine methyl ester hydrochloride(6306-52-1) MS
Mass

MS-NW-7007          
L-valine methyl ester hydrochloride
C6H13NO2 HCl        (Mass of molecular ion:    131)

   Source Temperature: 160 °C
   Sample Temperature: 120 °C
   Direct, 75 eV

      15.0       4.4
      17.0       1.5
      18.0       7.3
      27.0       3.3
      28.0      11.4
      29.0       4.9
      30.0       5.9
      33.0       9.2
      35.0       2.9
      36.0      21.2
      37.0       1.0
      38.0       6.8
      39.0       3.5
      41.0       3.4
      42.0       1.7
      43.0       3.0
      44.0       1.0
      55.0      26.5
      56.0       7.3
      57.0       5.6
      60.0       2.2
      70.0       1.6
      72.0     100.0
      73.0       5.2
      74.0       5.7
      84.0       1.2
      88.0      31.3
      89.0       2.7

400 MHz in DMSO-d6

L-Valine methyl ester hydrochloride(6306-52-1) MS

¹H NMR	399.65 MHz
C₆ H₁₃ N O₂	0.033 g : 0.5 ml DMSO-d₆
L-valine methyl ester hydrochloride

    Assign.     Shift(ppm)

      A             8.75
      B             3.812
      C             3.748
      D             2.227
      E     *1      0.997
      F     *1      0.945

     Hz     ppm     Int.

   3497.92   8.753     71
   1526.18   3.819    186
   1521.61   3.808    178
   1498.26   3.749   1000
    905.91   2.267     21
    899.51   2.251     52
    892.94   2.235     78
    887.15   2.220     77
    880.74   2.204     51
    402.07   1.007    553
    395.05   0.989    575
    381.01   0.954    491
    374.15   0.937    465

D2O

in DMSO-d6