| SpectraBase Spectrum ID |
B0MiWLmkmol |
| Name |
1,2-Naphthalenedione, 4-[(4-methylphenyl)thio]-3-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
356.087100927 u |
| Formula |
C23H16O2S |
| InChI |
InChI=1S/C23H16O2S/c1-15-11-13-17(14-12-15)26-23-19-10-6-5-9-18(19)21(24)22(25)20(23)16-7-3-2-4-8-16/h2-14H,1H3 |
| InChIKey |
DSMIJQBSRGXWOZ-UHFFFAOYSA-N |
| Molecular Weight |
356.439 g/mol |
| SMILES |
C1(=C(C=2C=CC=CC2C(C1=O)=O)SC=1C=CC(=CC1)C)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826491 |
![1,2-Naphthalenedione, 4-[(4-methylphenyl)thio]-3-phenyl-](/api/spectrum/B0MiWLmkmol/structure.png?h=300&w=458 "1,2-Naphthalenedione, 4-[(4-methylphenyl)thio]-3-phenyl-")
