| SpectraBase Spectrum ID |
5sj7cA1Lroi |
| Name |
.beta.-Alanine, N-(3-methylbut-2-enoyl)-, hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
395.339944310 u |
| Formula |
C24H45NO3 |
| InChI |
InChI=1S/C24H45NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-24(27)18-19-25-23(26)21-22(2)3/h21H,4-20H2,1-3H3,(H,25,26) |
| InChIKey |
QKRGLEQGMQJVGW-UHFFFAOYSA-N |
| Molecular Weight |
395.628 g/mol |
| SMILES |
CC(=CC(NCCC(OCCCCCCCCCCCCCCCC)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948491 |
