| SpectraBase Spectrum ID |
DvxfaShRrrl |
| Name |
.beta.-Alanine, N-(3-methylbut-2-enoyl)-, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
339.277344052 u |
| Formula |
C20H37NO3 |
| InChI |
InChI=1S/C20H37NO3/c1-4-5-6-7-8-9-10-11-12-13-16-24-20(23)14-15-21-19(22)17-18(2)3/h17H,4-16H2,1-3H3,(H,21,22) |
| InChIKey |
VTDIKYPZGKKGBZ-UHFFFAOYSA-N |
| Molecular Weight |
339.520 g/mol |
| SMILES |
CC(=CC(NCCC(OCCCCCCCCCCCC)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945287 |
