| SpectraBase Spectrum ID |
7vwO4DwCWpc |
| Name |
2-[3-Phenyl-2(E)-propen-1-yl]-3-phenylthiirane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.097271689 u |
| Formula |
C17H16S |
| InChI |
InChI=1S/C17H16S/c1-3-8-14(9-4-1)10-7-13-16-17(18-16)15-11-5-2-6-12-15/h1-12,16-17H,13H2/b10-7+ |
| InChIKey |
SYNQBFJSSBQOKW-JXMROGBWSA-N |
| Molecular Weight |
252.375 g/mol |
| SMILES |
C1(SC1C\C=C\C=1C=CC=CC1)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949113 |
![2-[3-Phenyl-2(E)-propen-1-yl]-3-phenylthiirane](/api/spectrum/7vwO4DwCWpc/structure.png?h=300&w=458 "2-[3-Phenyl-2(E)-propen-1-yl]-3-phenylthiirane")
