| SpectraBase Spectrum ID |
AYfJMbccsC2 |
| Name |
.beta.-Alanine, N-allyloxycarbonyl-, decyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.225308478 u |
| Formula |
C17H31NO4 |
| InChI |
InChI=1S/C17H31NO4/c1-3-5-6-7-8-9-10-11-15-21-16(19)12-13-18-17(20)22-14-4-2/h4H,2-3,5-15H2,1H3,(H,18,20) |
| InChIKey |
SSETYSXJFCTLGT-UHFFFAOYSA-N |
| Molecular Weight |
313.438 g/mol |
| SMILES |
C=CCOC(NCCC(OCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.830624 |
