| SpectraBase Spectrum ID |
E2UbXA8sTx |
| Name |
dl-Alanine, N-methyl-N-(byt-3-en-1-yloxycarbonyl)-, hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
425.350508993 u |
| Formula |
C25H47NO4 |
| InChI |
InChI=1S/C25H47NO4/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-29-24(27)23(3)26(4)25(28)30-21-8-6-2/h6,23H,2,5,7-22H2,1,3-4H3 |
| InChIKey |
RURNLLFXGUIEKH-UHFFFAOYSA-N |
| Molecular Weight |
425.654 g/mol |
| SMILES |
CC(N(C)C(=O)OCCC=C)C(=O)OCCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925935 |
