SpectraBase Spectrum ID |
70yftVQdfnm |
Name |
4,4'-Sulfonyldibenzyl alcohol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
278.061280101 u |
Formula |
C14H14O4S |
InChI |
InChI=1S/C14H14O4S/c15-9-11-1-5-13(6-2-11)19(17,18)14-7-3-12(10-16)4-8-14/h1-8,15-16H,9-10H2 |
InChIKey |
YRRRLFOYLAGUKD-UHFFFAOYSA-N |
Molecular Weight |
278.322 g/mol |
SMILES |
OCC1=CC=C(S(C=2C=CC(CO)=CC2)(=O)=O)C=C1 |
Spectrum/Structure Validation Score (Raman) |
0.811025 |