| SpectraBase Spectrum ID |
2fCEU21FTzl |
| Name |
Carbonic acid, monoamide, N-(2-phenylethyl)-N-butyl-, ethyl 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/c1-3-5-12-16(15(17)18-4-2)13-11-14-9-7-6-8-10-14/h6-10H,3-5,11-13H2,1-2H3 |
| InChIKey |
INNIECOCXISZMW-UHFFFAOYSA-N |
| Molecular Weight |
249.354 g/mol |
| SMILES |
CCOC(=O)N(CCCC)CCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9501 |
