| SpectraBase Spectrum ID |
JHJ0bHcGoV1 |
| Name |
2-Phenylthio-9,10-dimethoxy-1,4-anthraquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.076930165 u |
| Formula |
C22H16O4S |
| InChI |
InChI=1S/C22H16O4S/c1-25-21-14-10-6-7-11-15(14)22(26-2)19-18(21)16(23)12-17(20(19)24)27-13-8-4-3-5-9-13/h3-12H,1-2H3 |
| InChIKey |
QLNQVIVZCSLKRO-UHFFFAOYSA-N |
| Molecular Weight |
376.426 g/mol |
| SMILES |
C12=C(C(OC)=C3C(=C2OC)C=CC=C3)C(=O)C(=CC1=O)SC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901817 |
