| SpectraBase Spectrum ID |
I1hCNAIgG7n |
| Name |
3-(2-Chlorophenyl)-3-(veratroylamino)propionic acid ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
391.118650507 u |
| Formula |
C20H22ClNO5 |
| InChI |
InChI=1S/C20H22ClNO5/c1-4-27-19(23)12-16(14-7-5-6-8-15(14)21)22-20(24)13-9-10-17(25-2)18(11-13)26-3/h5-11,16H,4,12H2,1-3H3,(H,22,24) |
| InChIKey |
OJOGJDNXPGPKQH-UHFFFAOYSA-N |
| Molecular Weight |
391.851 g/mol |
| SMILES |
C=1(C=CC=CC1C(CC(OCC)=O)NC(=O)C=1C=C(C(=CC1)OC)OC)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843973 |
