| SpectraBase Spectrum ID |
CiJKb23sUSx |
| Name |
.beta.-Alanine, N-allyloxycarbonyl-, undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.240958543 u |
| Formula |
C18H33NO4 |
| InChI |
InChI=1S/C18H33NO4/c1-3-5-6-7-8-9-10-11-12-16-22-17(20)13-14-19-18(21)23-15-4-2/h4H,2-3,5-16H2,1H3,(H,19,21) |
| InChIKey |
PGGHNNHJJKVVET-UHFFFAOYSA-N |
| Molecular Weight |
327.465 g/mol |
| SMILES |
C=CCOC(NCCC(OCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828728 |
