SpectraBase Spectrum ID |
IA1PfmE5N9k |
Name |
Ethene, 1-(2-phenyl)ethylsulfinyl-2-phenyl-, (Z)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
256.092186308 u |
Formula |
C16H16OS |
InChI |
InChI=1S/C16H16OS/c17-18(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-11,13H,12,14H2/b13-11- |
InChIKey |
PEZFHHVVHVJRQG-QBFSEMIESA-N |
Molecular Weight |
256.363 g/mol |
SMILES |
C1(\C=C/S(=O)CCC=2C=CC=CC2)=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898593 |