| SpectraBase Spectrum ID |
ExXh7mWxSjs |
| Name |
4H-Naphtho[1,2-B]thiopyran-4-one, 2-(2,5-dimethylphenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.092186308 u |
| Formula |
C21H16OS |
| InChI |
InChI=1S/C21H16OS/c1-13-7-8-14(2)18(11-13)20-12-19(22)17-10-9-15-5-3-4-6-16(15)21(17)23-20/h3-12H,1-2H3 |
| InChIKey |
CSXAQWRKBUEHJW-UHFFFAOYSA-N |
| Molecular Weight |
316.418 g/mol |
| SMILES |
CC1=CC=C(C(=C1)C1=CC(=O)C=2C(S1)=C1C=CC=CC1=CC2)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944766 |
![4H-naphtho[1,2-b]thiopyran-4-one, 2-(2,5-dimethylphenyl)-](/api/spectrum/ExXh7mWxSjs/structure.png?h=300&w=458 "4H-naphtho[1,2-b]thiopyran-4-one, 2-(2,5-dimethylphenyl)-")
