| SpectraBase Spectrum ID |
6SAg0vEHwhs |
| Name |
Carbonic acid, monoamide, N-(2-pentyl)-N-isobutyl-, benzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
277.204179111 u |
| Formula |
C17H27NO2 |
| InChI |
InChI=1S/C17H27NO2/c1-5-9-15(4)18(12-14(2)3)17(19)20-13-16-10-7-6-8-11-16/h6-8,10-11,14-15H,5,9,12-13H2,1-4H3 |
| InChIKey |
ZILZZMOXENUYRS-UHFFFAOYSA-N |
| Molecular Weight |
277.408 g/mol |
| SMILES |
CCCC(C)N(C(OCC=1C=CC=CC1)=O)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968806 |
