| SpectraBase Spectrum ID |
I6TVO4uZSLR |
| Name |
Trans,trans-1,1'-(m-phenylene)bis(3-(p-(methylthio)phenyl)-2-propen-1-one) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.106122294 u |
| Formula |
C26H22O2S2 |
| InChI |
InChI=1S/C26H22O2S2/c1-29-23-12-6-19(7-13-23)10-16-25(27)21-4-3-5-22(18-21)26(28)17-11-20-8-14-24(30-2)15-9-20/h3-18H,1-2H3/b16-10+,17-11+ |
| InChIKey |
YHJBAASFVOGSNG-OTYYAQKOSA-N |
| Molecular Weight |
430.580 g/mol |
| SMILES |
C1=C(C=CC(=C1)\C=C\C(C1=CC(=CC=C1)C(\C=C\C1=CC=C(SC)C=C1)=O)=O)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914866 |
