| SpectraBase Spectrum ID |
4BM0EowOcc4 |
| Name |
4-[3-(2-Fluorophenyl)ureido]benzoic acid, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.106670511 u |
| Formula |
C16H15FN2O3 |
| InChI |
InChI=1S/C16H15FN2O3/c1-2-22-15(20)11-7-9-12(10-8-11)18-16(21)19-14-6-4-3-5-13(14)17/h3-10H,2H2,1H3,(H2,18,19,21) |
| InChIKey |
VBTZVXMYIIFSRH-UHFFFAOYSA-N |
| Molecular Weight |
302.305 g/mol |
| SMILES |
C1(F)=C(C=CC=C1)NC(=O)NC1=CC=C(C=C1)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952935 |
![4-[3-(2-Fluorophenyl)ureido]benzoic acid, ethyl ester](/api/spectrum/4BM0EowOcc4/structure.png?h=300&w=458 "4-[3-(2-Fluorophenyl)ureido]benzoic acid, ethyl ester")
