| SpectraBase Spectrum ID |
BEK3bIVui80 |
| Name |
(E)-Ethyl 2-(benzyloxycarbonylamino)-3-(2-chlorophenyl)prop-2-enoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
359.092435760 u |
| Formula |
C19H18ClNO4 |
| InChI |
InChI=1S/C19H18ClNO4/c1-2-24-18(22)17(12-15-10-6-7-11-16(15)20)21-19(23)25-13-14-8-4-3-5-9-14/h3-12H,2,13H2,1H3,(H,21,23)/b17-12+ |
| InChIKey |
GMJKDKQKORBGTJ-SFQUDFHCSA-N |
| Molecular Weight |
359.809 g/mol |
| SMILES |
C=1(\C=C/(NC(=O)OCC2=CC=CC=C2)C(=O)OCC)C(Cl)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968062 |
