| SpectraBase Spectrum ID |
16xVQj1wYaA |
| Name |
Carbonic acid, monoamide, N-(2-pentyl)-N-hexyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
229.204179111 u |
| Formula |
C13H27NO2 |
| InChI |
InChI=1S/C13H27NO2/c1-5-7-8-9-11-14(13(15)16-4)12(3)10-6-2/h12H,5-11H2,1-4H3 |
| InChIKey |
FGRLSQVPAAEVLK-UHFFFAOYSA-N |
| Molecular Weight |
229.364 g/mol |
| SMILES |
CCCC(C)N(C(OC)=O)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969537 |
