| SpectraBase Spectrum ID |
FPer3WFl1Oo |
| Name |
9-Mesityl-9-(p-methoxyphenyl)thioxanthene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.170436630 u |
| Formula |
C29H26OS |
| InChI |
InChI=1S/C29H26OS/c1-19-17-20(2)28(21(3)18-19)29(22-13-15-23(30-4)16-14-22)24-9-5-7-11-26(24)31-27-12-8-6-10-25(27)29/h5-18H,1-4H3 |
| InChIKey |
CHPJRWHXHPQJLW-UHFFFAOYSA-N |
| Molecular Weight |
422.586 g/mol |
| SMILES |
C1(C=2C(=CC(=CC2C)C)C)(C2=C(C=CC=C2)SC2=C1C=CC=C2)C=1C=CC(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950834 |
