| SpectraBase Spectrum ID |
70wP6oFWyTj |
| Name |
.beta.-Alanine, N-acryloyl-, heptadecyl 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/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27-23(26)19-20-24-22(25)4-2/h4H,2-3,5-21H2,1H3,(H,24,25) |
| InChIKey |
IIEDWJAFEVXBQS-UHFFFAOYSA-N |
| Molecular Weight |
381.601 g/mol |
| SMILES |
C=CC(NCCC(OCCCCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948767 |
