| SpectraBase Spectrum ID |
BEcJC2Dpc0G |
| Name |
Oxalic acid, monoamide, N-butyl-, heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
243.183443666 u |
| Formula |
C13H25NO3 |
| InChI |
InChI=1S/C13H25NO3/c1-3-5-7-8-9-11-17-13(16)12(15)14-10-6-4-2/h3-11H2,1-2H3,(H,14,15) |
| InChIKey |
DYINNYVGFOENDP-UHFFFAOYSA-N |
| Molecular Weight |
243.347 g/mol |
| SMILES |
C(C(=O)OCCCCCCC)(=O)NCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920477 |
