| SpectraBase Spectrum ID |
zBghKBWr4T |
| Name |
L-Isoleucine, N-ethoxycarbonyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
217.131408092 u |
| Formula |
C10H19NO4 |
| InChI |
InChI=1S/C10H19NO4/c1-5-7(3)8(9(12)14-4)11-10(13)15-6-2/h7-8H,5-6H2,1-4H3,(H,11,13) |
| InChIKey |
LWXRMBZDTHMHPL-UHFFFAOYSA-N |
| Molecular Weight |
217.265 g/mol |
| SMILES |
C(C(C(OC)=O)NC(OCC)=O)(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817134 |
