| SpectraBase Spectrum ID |
AeYnRKJDXKF |
| Name |
.beta.-Alanine, N-cyclohexylcarbonyl-, octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.246043924 u |
| Formula |
C18H33NO3 |
| InChI |
InChI=1S/C18H33NO3/c1-2-3-4-5-6-10-15-22-17(20)13-14-19-18(21)16-11-8-7-9-12-16/h16H,2-15H2,1H3,(H,19,21) |
| InChIKey |
ZNEXMEKDBPMBRM-UHFFFAOYSA-N |
| Molecular Weight |
311.466 g/mol |
| SMILES |
C1CCCCC1C(NCCC(OCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912833 |
