| SpectraBase Spectrum ID |
8ypKzXKcTtl |
| Name |
Glutaric acid, monoamide, N-(2-octyl)-, propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
285.230393859 u |
| Formula |
C16H31NO3 |
| InChI |
InChI=1S/C16H31NO3/c1-4-6-7-8-10-14(3)17-15(18)11-9-12-16(19)20-13-5-2/h14H,4-13H2,1-3H3,(H,17,18) |
| InChIKey |
YXIDNOJQAZARPO-UHFFFAOYSA-N |
| SMILES |
CC(NC(CCCC(OCCC)=O)=O)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900878 |
