| SpectraBase Spectrum ID |
J4arcWoKiHr |
| Name |
1-(4-Fluorophenyl)-4-(4-methoxyphenyl)-9hthioxanthen-9-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.093329122 u |
| Formula |
C26H17FO2S |
| InChI |
InChI=1S/C26H17FO2S/c1-29-19-12-8-17(9-13-19)21-15-14-20(16-6-10-18(27)11-7-16)24-25(28)22-4-2-3-5-23(22)30-26(21)24/h2-15H,1H3 |
| InChIKey |
CKSPAXLIUVJZED-UHFFFAOYSA-N |
| Molecular Weight |
412.478 g/mol |
| SMILES |
C12=C(SC3=C(C2=O)C=CC=C3)C(C2=CC=C(C=C2)OC)=CC=C1C=1C=CC(=CC1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837048 |
