| SpectraBase Compound ID | 5o6xVk6DSuH |
|---|---|
| InChI | InChI=1S/C7H4OS2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H |
| InChIKey | IZTJMBFHQMPFKL-UHFFFAOYSA-N |
| Mol Weight | 168.23 g/mol |
| Molecular Formula | C7H4OS2 |
| Exact Mass | 167.970357 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ANbXm3TmeYn |
|---|---|
| Name | 1,3-Benzodithiol-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.970357096 u |
| Formula | C7H4OS2 |
| InChI | InChI=1S/C7H4OS2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H |
| InChIKey | IZTJMBFHQMPFKL-UHFFFAOYSA-N |
| Molecular Weight | 168.228 g/mol |
| SMILES | C1(SC2=CC=CC=C2S1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.801274 |