| SpectraBase Spectrum ID |
IjPCdz1TwV9 |
| Name |
6-Methoxy-2-phenyl-2-(phenylthio)-benzofuran-3(2H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.082015546 u |
| Formula |
C21H16O3S |
| InChI |
InChI=1S/C21H16O3S/c1-23-16-12-13-18-19(14-16)24-21(20(18)22,15-8-4-2-5-9-15)25-17-10-6-3-7-11-17/h2-14H,1H3 |
| InChIKey |
DUMPVFJSCHUUMZ-UHFFFAOYSA-N |
| Molecular Weight |
348.416 g/mol |
| SMILES |
C=1(SC2(C(=O)C3=CC=C(OC)C=C3O2)C2=CC=CC=C2)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860949 |
