| SpectraBase Compound ID | FX3JNPJCllI |
|---|---|
| InChI | InChI=1S/C14H10OS/c15-16-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H |
| InChIKey | QHVCBIAMWFIPHT-UHFFFAOYSA-N |
| Mol Weight | 226.29 g/mol |
| Molecular Formula | C14H10OS |
| Exact Mass | 226.045236 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4uWnHnYzjTg |
|---|---|
| Name | 2,3-di(Phenyl)thiirene 1-oxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.045236115 u |
| Formula | C14H10OS |
| InChI | InChI=1S/C14H10OS/c15-16-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H |
| InChIKey | QHVCBIAMWFIPHT-UHFFFAOYSA-N |
| Molecular Weight | 226.293 g/mol |
| SMILES | C=1(S(C1C1=CC=CC=C1)=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.884718 |