L-Valine methyl ester hydrochloride(6306-52-1) MS
Product NameL-Valine methyl ester hydrochloride
CAS6306-52-1
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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MassMS-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
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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
KBr disc
nujol mull
4880 A,200 M,powder
