| SpectraBase Spectrum ID |
IlXfbJgICIG |
| Name |
L-Isoleucine, N-ethoxycarbonyl-, isohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
287.209658414 u |
| Formula |
C15H29NO4 |
| InChI |
InChI=1S/C15H29NO4/c1-6-12(5)13(16-15(18)19-7-2)14(17)20-10-8-9-11(3)4/h11-13H,6-10H2,1-5H3,(H,16,18) |
| InChIKey |
LZHBEBLLIXVYBW-UHFFFAOYSA-N |
| SMILES |
CCOC(NC(C(CC)C)C(OCCCC(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869177 |
