| SpectraBase Spectrum ID |
FmjkXWdKcF0 |
| Name |
.beta.-Alanine, N-allyloxycarbonyl-, heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
271.178358285 u |
| Formula |
C14H25NO4 |
| InChI |
InChI=1S/C14H25NO4/c1-3-5-6-7-8-12-18-13(16)9-10-15-14(17)19-11-4-2/h4H,2-3,5-12H2,1H3,(H,15,17) |
| InChIKey |
RCTAKIGNHOORQU-UHFFFAOYSA-N |
| Molecular Weight |
271.357 g/mol |
| SMILES |
C=CCOC(NCCC(OCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842303 |
