| SpectraBase Spectrum ID |
9nKDd6PxGOK |
| Name |
2,4,6-Trimethyl-4'-phenyldiphenylsulfone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.118401056 u |
| Formula |
C21H20O2S |
| InChI |
InChI=1S/C21H20O2S/c1-15-13-16(2)21(17(3)14-15)24(22,23)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-14H,1-3H3 |
| InChIKey |
SUDTVKVDKDMVSQ-UHFFFAOYSA-N |
| Molecular Weight |
336.449 g/mol |
| SMILES |
C1(S(=O)(=O)C2=C(C=C(C=C2C)C)C)=CC=C(C=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880358 |
