| SpectraBase Spectrum ID |
9shYF4lvnNp |
| Name |
6,8-Dimethyl-2-phenylthiochromen-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.076536244 u |
| Formula |
C17H14OS |
| InChI |
InChI=1S/C17H14OS/c1-11-8-12(2)17-14(9-11)15(18)10-16(19-17)13-6-4-3-5-7-13/h3-10H,1-2H3 |
| InChIKey |
CLRJZYLQRVYHTD-UHFFFAOYSA-N |
| Molecular Weight |
266.358 g/mol |
| SMILES |
C1(=CC(=C2C(=C1)C(C=C(S2)C1=CC=CC=C1)=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859739 |
