| SpectraBase Spectrum ID |
3fqR53WBNm1 |
| Name |
Oxalic acid, monoamide, N,N-dihexyl-, heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
355.308644181 u |
| Formula |
C21H41NO3 |
| InChI |
InChI=1S/C21H41NO3/c1-4-7-10-13-16-19-25-21(24)20(23)22(17-14-11-8-5-2)18-15-12-9-6-3/h4-19H2,1-3H3 |
| InChIKey |
XAOUQQBGVKXNDV-UHFFFAOYSA-N |
| Molecular Weight |
355.563 g/mol |
| SMILES |
C(C(N(CCCCCC)CCCCCC)=O)(=O)OCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.986439 |
