| SpectraBase Spectrum ID |
8830zzk3I0h |
| Name |
Glutaric acid, monoamide, N-(2-octyl)-, nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
369.324294246 u |
| Formula |
C22H43NO3 |
| InChI |
InChI=1S/C22H43NO3/c1-4-6-8-10-11-12-14-19-26-22(25)18-15-17-21(24)23-20(3)16-13-9-7-5-2/h20H,4-19H2,1-3H3,(H,23,24) |
| InChIKey |
BFKYAHGGWFBKEI-UHFFFAOYSA-N |
| Molecular Weight |
369.590 g/mol |
| SMILES |
CC(NC(CCCC(OCCCCCCCCC)=O)=O)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976304 |
