| SpectraBase Spectrum ID |
A07AZDa3zgX |
| Name |
2-Phenylthio-10-hydroxy-9-methoxy-1,4-anthraquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.061280101 u |
| Formula |
C21H14O4S |
| InChI |
InChI=1S/C21H14O4S/c1-25-21-14-10-6-5-9-13(14)19(23)17-15(22)11-16(20(24)18(17)21)26-12-7-3-2-4-8-12/h2-11,23H,1H3 |
| InChIKey |
IZPDFXNZOUFNDT-UHFFFAOYSA-N |
| Molecular Weight |
362.399 g/mol |
| SMILES |
C12=C(C(OC)=C3C(=C2O)C=CC=C3)C(=O)C(=CC1=O)SC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951324 |
