| SpectraBase Compound ID | 37X3sMakHSl |
|---|---|
| InChI | InChI=1S/C7H12O2S/c1-6(8)9-7-3-2-4-10-5-7/h7H,2-5H2,1H3 |
| InChIKey | BGFWXCCAFUZMHQ-UHFFFAOYSA-N |
| Mol Weight | 160.23 g/mol |
| Molecular Formula | C7H12O2S |
| Exact Mass | 160.055801 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BHjcthz0ReG |
|---|---|
| Name | 3-Acetoxythiacyclohexane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.055800798 u |
| Formula | C7H12O2S |
| InChI | InChI=1S/C7H12O2S/c1-6(8)9-7-3-2-4-10-5-7/h7H,2-5H2,1H3 |
| InChIKey | BGFWXCCAFUZMHQ-UHFFFAOYSA-N |
| Molecular Weight | 160.231 g/mol |
| SMILES | C1CSCC(C1)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975735 |