| SpectraBase Spectrum ID |
6GGL1gNa8z1 |
| Name |
3(4H)-Thiophenecarboxylic acid, 5-[(4-fluorophenyl)methylidene]-2-[(4-methoxybenzoyl)amino]-4-oxo-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
427.088972016 u |
| Formula |
C22H18FNO5S |
| InChI |
InChI=1S/C22H18FNO5S/c1-3-29-22(27)18-19(25)17(12-13-4-8-15(23)9-5-13)30-21(18)24-20(26)14-6-10-16(28-2)11-7-14/h4-12H,3H2,1-2H3,(H,24,26)/b17-12- |
| InChIKey |
YUWAKQAHKBLAOH-ATVHPVEESA-N |
| Molecular Weight |
427.446 g/mol |
| SMILES |
C1(=C(C(=O)\C(S1)=C\C1=CC=C(C=C1)F)C(=O)OCC)NC(C1=CC=C(C=C1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924674 |
![3(4H)-Thiophenecarboxylic acid, 5-[(4-fluorophenyl)methylidene]-2-[(4-methoxybenzoyl)amino]-4-oxo-, ethyl ester](/api/spectrum/6GGL1gNa8z1/structure.png?h=300&w=458 "3(4H)-Thiophenecarboxylic acid, 5-[(4-fluorophenyl)methylidene]-2-[(4-methoxybenzoyl)amino]-4-oxo-, ethyl ester")
