| SpectraBase Compound ID | BSzmnWVsazo |
|---|---|
| InChI | InChI=1S/C8H12OS/c1-6-3-4-8(5-9)7(2)10-6/h4-7H,3H2,1-2H3 |
| InChIKey | OVGLVUDQBOCQPR-UHFFFAOYSA-N |
| Mol Weight | 156.24 g/mol |
| Molecular Formula | C8H12OS |
| Exact Mass | 156.060886 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Fbrw55kTKJN |
|---|---|
| Name | 2H-Thiopyran-3-carboxaldehyde, 5,6-dihydro-2,6-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.060886179 u |
| Formula | C8H12OS |
| InChI | InChI=1S/C8H12OS/c1-6-3-4-8(5-9)7(2)10-6/h4-7H,3H2,1-2H3 |
| InChIKey | OVGLVUDQBOCQPR-UHFFFAOYSA-N |
| Molecular Weight | 156.243 g/mol |
| SMILES | C=1CC(SC(C1C=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.889197 |