GLYCYL-D-VALINE(10521-49-0) MS
Product NameGLYCYL-D-VALINE
CAS10521-49-0
Molecular FormulaC7H14N2O3
Molecular Weight174.2
InChIInChI=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
SmilesC(O)(=O)[C@@H](C(C)C)NC(=O)CN
-
MassMS-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
KBr disc
nujol mull
4880 A,200 M,powder
