| SpectraBase Compound ID | Cp2VRRQeGyv |
|---|---|
| InChI | InChI=1S/C10H10OS/c11-9-6-7-10(9)12-8-4-2-1-3-5-8/h1-5,10H,6-7H2 |
| InChIKey | OQQAQUSBTQZQTP-UHFFFAOYSA-N |
| Mol Weight | 178.25 g/mol |
| Molecular Formula | C10H10OS |
| Exact Mass | 178.045236 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1nhghR2g4Mo |
|---|---|
| Name | 2-(Phenylthio)cyclobutanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.045236115 u |
| Formula | C10H10OS |
| InChI | InChI=1S/C10H10OS/c11-9-6-7-10(9)12-8-4-2-1-3-5-8/h1-5,10H,6-7H2 |
| InChIKey | OQQAQUSBTQZQTP-UHFFFAOYSA-N |
| Molecular Weight | 178.249 g/mol |
| SMILES | C1C(C(C1)SC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963862 |