| SpectraBase Spectrum ID |
4LZ1pKCmy1K |
| Name |
1-(4-Methoxyphenyl)sulfanyl-4-oxidanyl-anthracene-9,10-dione |
| 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/c1-25-12-6-8-13(9-7-12)26-17-11-10-16(22)18-19(17)21(24)15-5-3-2-4-14(15)20(18)23/h2-11,22H,1H3 |
| InChIKey |
GPKKHRIXFZCDJC-UHFFFAOYSA-N |
| Molecular Weight |
362.399 g/mol |
| SMILES |
C=12C(C(=O)C3=C(C2=O)C=CC=C3)=C(O)C=CC1SC1=CC=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866742 |
