| SpectraBase Compound ID | DOEVCRzGOV |
|---|---|
| InChI | InChI=1S/C8H16OS/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3 |
| InChIKey | QWQQABHFUJEFNJ-UHFFFAOYSA-N |
| Mol Weight | 160.27 g/mol |
| Molecular Formula | C8H16OS |
| Exact Mass | 160.092186 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GBAZLtTZriP |
|---|---|
| Name | Propanethioic acid, S-pentyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.092186308 u |
| Formula | C8H16OS |
| InChI | InChI=1S/C8H16OS/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3 |
| InChIKey | QWQQABHFUJEFNJ-UHFFFAOYSA-N |
| Molecular Weight | 160.275 g/mol |
| SMILES | C(SCCCCC)(CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.88799 |