| SpectraBase Spectrum ID |
1e6zmXNU9s3 |
| Name |
.beta.-Alanine, N-(3-methylbut-2-enoyl)-, tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
367.308644181 u |
| Formula |
C22H41NO3 |
| InChI |
InChI=1S/C22H41NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-26-22(25)16-17-23-21(24)19-20(2)3/h19H,4-18H2,1-3H3,(H,23,24) |
| InChIKey |
RRRWSPCXSJBNIK-UHFFFAOYSA-N |
| Molecular Weight |
367.574 g/mol |
| SMILES |
CC(=CC(NCCC(OCCCCCCCCCCCCCC)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922245 |
