| SpectraBase Spectrum ID |
HhcFPsL3fLf |
| Name |
1,2-Benzendiol, o-(4-fluorobenzoyl)-o'-(phenylthioacetyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.067508296 u |
| Formula |
C21H15FO4S |
| InChI |
InChI=1S/C21H15FO4S/c22-16-12-10-15(11-13-16)21(24)26-19-9-5-4-8-18(19)25-20(23)14-27-17-6-2-1-3-7-17/h1-13H,14H2 |
| InChIKey |
MXLWOBDGGHJAFP-UHFFFAOYSA-N |
| Molecular Weight |
382.405 g/mol |
| SMILES |
C1(=CC=CC=C1OC(CSC1=CC=CC=C1)=O)OC(C1=CC=C(C=C1)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952072 |
