| SpectraBase Spectrum ID |
66j4q0q0Ozb |
| Name |
3-Phenylsulfinyl-1-phenylthiopropene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.048607418 u |
| Formula |
C15H14OS2 |
| InChI |
InChI=1S/C15H14OS2/c16-18(15-10-5-2-6-11-15)13-7-12-17-14-8-3-1-4-9-14/h1-12H,13H2/b12-7+ |
| InChIKey |
UJZMHPUZNZIENH-KPKJPENVSA-N |
| Molecular Weight |
274.396 g/mol |
| SMILES |
C=1(S(=O)C\C=C\SC2=CC=CC=C2)C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83693 |
