| SpectraBase Compound ID | HbU1ALTITV6 |
|---|---|
| InChI | InChI=1S/C6H10O2S/c1-6-3-2-4-9(7,8)5-6/h2,4,6H,3,5H2,1H3 |
| InChIKey | MOLMXZNWDPTZKY-UHFFFAOYSA-N |
| Mol Weight | 146.2 g/mol |
| Molecular Formula | C6H10O2S |
| Exact Mass | 146.040151 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | A50qBbxDa0r |
|---|---|
| Name | 2H-Thiopyran, 3,4-dihydro-3-methyl-, 1,1-dioxide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 146.040150734 u |
| Formula | C6H10O2S |
| InChI | InChI=1S/C6H10O2S/c1-6-3-2-4-9(7,8)5-6/h2,4,6H,3,5H2,1H3 |
| InChIKey | MOLMXZNWDPTZKY-UHFFFAOYSA-N |
| Molecular Weight | 146.204 g/mol |
| SMILES | C=1S(CC(CC1)C)(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.820565 |