| SpectraBase Spectrum ID |
1VXW4Dh02uf |
| Name |
Carbonic acid, monoamide, N-(2-phenylethyl)-N-isobutyl-, 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/c1-4-18-15(17)16(12-13(2)3)11-10-14-8-6-5-7-9-14/h5-9,13H,4,10-12H2,1-3H3 |
| InChIKey |
HTEZJHFWBQDLRC-UHFFFAOYSA-N |
| Molecular Weight |
249.354 g/mol |
| SMILES |
CCOC(=O)N(CC(C)C)CCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92105 |
