| SpectraBase Spectrum ID |
H6SfDLmsC6C |
| Name |
leu-val, N-Methoxycarbonyl-, methyl ester (isomer 1) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.184171940 u |
| Formula |
C14H26N2O5 |
| InChI |
InChI=1S/C14H26N2O5/c1-8(2)7-10(15-14(19)21-6)12(17)16-11(9(3)4)13(18)20-5/h8-11H,7H2,1-6H3,(H,15,19)(H,16,17) |
| InChIKey |
KBHAQYRSQALWQD-UHFFFAOYSA-N |
| Molecular Weight |
302.371 g/mol |
| SMILES |
C(C(CC(C)C)NC(OC)=O)(=O)NC(C(=O)OC)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904596 |
