| SpectraBase Spectrum ID |
8TgZUEec7oG |
| Name |
2-(3,4-Dimethoxyphenyl)-6-methoxy-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 |
408.103144913 u |
| Formula |
C23H20O5S |
| InChI |
InChI=1S/C23H20O5S/c1-25-16-10-11-18-20(14-16)28-23(22(18)24,29-17-7-5-4-6-8-17)15-9-12-19(26-2)21(13-15)27-3/h4-14H,1-3H3 |
| InChIKey |
PZZWCEUBIPMFBV-UHFFFAOYSA-N |
| Molecular Weight |
408.468 g/mol |
| SMILES |
C=1(SC2(C(=O)C3=CC=C(OC)C=C3O2)C2=CC(OC)=C(OC)C=C2)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92625 |
