| SpectraBase Spectrum ID |
8ERlJG6d0Jy |
| Name |
Carbonic acid, monoamide, N-(2-pentyl)-N-hexyl-, isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
271.251129305 u |
| Formula |
C16H33NO2 |
| InChI |
InChI=1S/C16H33NO2/c1-6-8-9-10-12-17(15(5)11-7-2)16(18)19-13-14(3)4/h14-15H,6-13H2,1-5H3 |
| InChIKey |
RVKPWPFEAOSHMS-UHFFFAOYSA-N |
| SMILES |
CCCC(C)N(C(OCC(C)C)=O)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917398 |
