| SpectraBase Spectrum ID |
6V6pz2g7v04 |
| Name |
1,2-bis(3-Phenylsulfonylpropynyl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
434.064651404 u |
| Formula |
C24H18O4S2 |
| InChI |
InChI=1S/C24H18O4S2/c25-29(26,23-15-3-1-4-16-23)19-9-13-21-11-7-8-12-22(21)14-10-20-30(27,28)24-17-5-2-6-18-24/h1-8,11-12,15-18H,19-20H2 |
| InChIKey |
LTEWIYUCJQGAGV-UHFFFAOYSA-N |
| Molecular Weight |
434.524 g/mol |
| SMILES |
C1(S(=O)(=O)CC#CC=2C(C#CCS(=O)(=O)C=3C=CC=CC3)=CC=CC2)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80489 |
