| SpectraBase Spectrum ID |
LIgkf0p5qX8 |
| Name |
.beta.-Alanine, N-cyclohexylcarbonyl-, heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
297.230393859 u |
| Formula |
C17H31NO3 |
| InChI |
InChI=1S/C17H31NO3/c1-2-3-4-5-9-14-21-16(19)12-13-18-17(20)15-10-7-6-8-11-15/h15H,2-14H2,1H3,(H,18,20) |
| InChIKey |
UHAJWAQPTYMHMF-UHFFFAOYSA-N |
| SMILES |
C1CCCCC1C(NCCC(OCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944236 |
