| SpectraBase Spectrum ID |
Hxi1iWpHGOT |
| Name |
.beta.-Alanine, N-allyloxycarbonyl-, hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.319208865 u |
| Formula |
C23H43NO4 |
| InChI |
InChI=1S/C23H43NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-22(25)18-19-24-23(26)28-20-4-2/h4H,2-3,5-21H2,1H3,(H,24,26) |
| InChIKey |
QKMJFWVONUDRIO-UHFFFAOYSA-N |
| Molecular Weight |
397.600 g/mol |
| SMILES |
C=CCOC(NCCC(OCCCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936865 |
