| SpectraBase Spectrum ID |
I4yaQhQShgr |
| Name |
4'-Methoxy-2-(4'-methylbiphenyl-4-ylsulfonyl)biphenyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.128965739 u |
| Formula |
C26H22O3S |
| InChI |
InChI=1S/C26H22O3S/c1-19-7-9-20(10-8-19)21-13-17-24(18-14-21)30(27,28)26-6-4-3-5-25(26)22-11-15-23(29-2)16-12-22/h3-18H,1-2H3 |
| InChIKey |
PVOOARMGSOKVFR-UHFFFAOYSA-N |
| Molecular Weight |
414.519 g/mol |
| SMILES |
C=1(C(=CC=CC1)S(C=1C=CC(=CC1)C=1C=CC(=CC1)C)(=O)=O)C1=CC=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912121 |
