| SpectraBase Spectrum ID |
IHQi2bAYb24 |
| Name |
Carbonic acid, monoamide, N-benzyl-N-hexyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.172878983 u |
| Formula |
C15H23NO2 |
| InChI |
InChI=1S/C15H23NO2/c1-3-4-5-9-12-16(15(17)18-2)13-14-10-7-6-8-11-14/h6-8,10-11H,3-5,9,12-13H2,1-2H3 |
| InChIKey |
FFGDDZBNAWCGBH-UHFFFAOYSA-N |
| Molecular Weight |
249.354 g/mol |
| SMILES |
COC(=O)N(CCCCCC)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944888 |
