![2H-Pyran-2-one, tetrahydro-6-[(propylthio)methyl]-](/api/spectrum/zjJQ0p9pqa/structure.png?h=300&w=458 "2H-Pyran-2-one, tetrahydro-6-[(propylthio)methyl]-")
| SpectraBase Compound ID | BFA4C02Yxhq |
|---|---|
| InChI | InChI=1S/C9H16O2S/c1-2-6-12-7-8-4-3-5-9(10)11-8/h8H,2-7H2,1H3 |
| InChIKey | DYANQYZUDPHHSL-UHFFFAOYSA-N |
| Mol Weight | 188.28 g/mol |
| Molecular Formula | C9H16O2S |
| Exact Mass | 188.087101 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | zjJQ0p9pqa |
|---|---|
| Name | 2H-Pyran-2-one, tetrahydro-6-[(propylthio)methyl]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.087100927 u |
| Formula | C9H16O2S |
| InChI | InChI=1S/C9H16O2S/c1-2-6-12-7-8-4-3-5-9(10)11-8/h8H,2-7H2,1H3 |
| InChIKey | DYANQYZUDPHHSL-UHFFFAOYSA-N |
| Molecular Weight | 188.285 g/mol |
| SMILES | C1(OC(CCC1)CSCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960785 |