| SpectraBase Compound ID | 6a6xmd0B1QW |
|---|---|
| InChI | InChI=1S/C3H6OS/c4-3-1-5-2-3/h3-4H,1-2H2 |
| InChIKey | YCGJWFCBFZPGJK-UHFFFAOYSA-N |
| Mol Weight | 90.14 g/mol |
| Molecular Formula | C3H6OS |
| Exact Mass | 90.013936 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | J8BiDTsMCwb |
|---|---|
| Name | 3-Thietanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 90.013935986 u |
| Formula | C3H6OS |
| InChI | InChI=1S/C3H6OS/c4-3-1-5-2-3/h3-4H,1-2H2 |
| InChIKey | YCGJWFCBFZPGJK-UHFFFAOYSA-N |
| Molecular Weight | 90.140 g/mol |
| SMILES | C1C(CS1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976409 |