| SpectraBase Spectrum ID |
7igckZaFIhU |
| Name |
Alanine, N-methyl-N-isobutoxycarbonyl-, 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/c1-11(2)8-7-9-19-14(17)13(5)16(6)15(18)20-10-12(3)4/h11-13H,7-10H2,1-6H3 |
| InChIKey |
VSFFNOGQPZLZNE-UHFFFAOYSA-N |
| SMILES |
CC(C)COC(N(C(C(OCCCC(C)C)=O)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.823934 |
