| SpectraBase Spectrum ID |
ERDrMVvUmNX |
| Name |
Oxalic acid, monoamide, N-(2-octyl)-, heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.246043924 u |
| Formula |
C17H33NO3 |
| InChI |
InChI=1S/C17H33NO3/c1-4-6-8-10-12-14-21-17(20)16(19)18-15(3)13-11-9-7-5-2/h15H,4-14H2,1-3H3,(H,18,19) |
| InChIKey |
IZVQPEYITMKPJO-UHFFFAOYSA-N |
| Molecular Weight |
299.455 g/mol |
| SMILES |
C(C(=O)NC(CCCCCC)C)(=O)OCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979372 |
