N-Boc-L-valine(13734-41-3) MS
Product NameN-Boc-L-valine
CAS13734-41-3
Molecular FormulaC10H19NO4
Molecular Weight217.26
InChIInChI=1S/C10H19NO4/c1-6(2)7(8(12)13)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13)/t7-/m0/s1
InChIKey SZXBQTSZISFIAO-ZETCQYMHSA-N
SmilesC(O)(=O)[C@H](C(C)C)NC(OC(C)(C)C)=O
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MassMS-NW-6314 N(alpha)-tert-butoxycarbonyl-L-valine C10H19NO4 (Mass of molecular ion: 217)
Source Temperature: 150 °C Sample Temperature: 120 °C Direct, 75 eV
15.0 1.5 27.0 7.1 28.0 8.8 29.0 14.8 30.0 1.5 31.0 4.1 39.0 6.2 40.0 1.0 41.0 24.0 42.0 2.1 43.0 5.6 44.0 1.2 45.0 1.3 55.0 7.1 56.0 6.9 57.0 100.0 58.0 4.9 59.0 32.3 60.0 1.0 72.0 36.5 73.0 2.3 74.0 4.8 75.0 1.9 98.0 3.1 100.0 1.0 101.0 6.9 102.0 1.2 116.0 26.0 117.0 2.8 118.0 1.1 119.0 3.3 144.0 2.0 172.0 9.8 173.0 1.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C10 H19 N O4 0.038 g : 0.5 ml CDCl3 N(alpha)-tert-butoxycarbonyl-L-valine 
Assign. Shift(ppm)
A 10.9 B 6.33 B 5.09 C 4.27 C 4.03 D 2.20 E 1.450 F *1 1.00 G *1 0.94 MIXTURE OF ISOMERS DUE TO HINDERED C-N ROTATION.
Hz ppm Int.579.83 1.451 1000 404.05 1.012 68 397.34 0.995 66 377.04 0.944 49 370.33 0.927 43
in CDCl3
KBr disc
nujol mull
4880 A,200 M,powder
