| SpectraBase Spectrum ID |
AvKBqymrwKN |
| Name |
1,4-bis(4-Methoxyphenyl)-9H-thioxanthen-9-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.113315675 u |
| Formula |
C27H20O3S |
| InChI |
InChI=1S/C27H20O3S/c1-29-19-11-7-17(8-12-19)21-15-16-22(18-9-13-20(30-2)14-10-18)27-25(21)26(28)23-5-3-4-6-24(23)31-27/h3-16H,1-2H3 |
| InChIKey |
RQOYPIYPPRHTFF-UHFFFAOYSA-N |
| Molecular Weight |
424.514 g/mol |
| SMILES |
C12=C(SC=3C(C2=O)=CC=CC3)C(C2=CC=C(C=C2)OC)=CC=C1C1=CC=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890398 |
