| SpectraBase Spectrum ID |
1j2Bod2LK8O |
| Name |
.beta.-Alanine, N-(3-methylbut-2-enoyl)-, pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
381.324294246 u |
| Formula |
C23H43NO3 |
| InChI |
InChI=1S/C23H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27-23(26)17-18-24-22(25)20-21(2)3/h20H,4-19H2,1-3H3,(H,24,25) |
| InChIKey |
KQNFLSLDFIYHLY-UHFFFAOYSA-N |
| Molecular Weight |
381.601 g/mol |
| SMILES |
CC(=CC(NCCC(OCCCCCCCCCCCCCCC)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920118 |
