| SpectraBase Compound ID | KHlKINqJm7b |
|---|---|
| InChI | InChI=1S/C6H12O2S/c1-3-4-8-6(7)5(2)9/h5,9H,3-4H2,1-2H3 |
| InChIKey | SZNSBSIVODFXBS-UHFFFAOYSA-N |
| Mol Weight | 148.22 g/mol |
| Molecular Formula | C6H12O2S |
| Exact Mass | 148.055801 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E0MIUDGqBAT |
|---|---|
| Name | Propionic acid, 2-mercapto-, propyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 148.055800798 u |
| Formula | C6H12O2S |
| InChI | InChI=1S/C6H12O2S/c1-3-4-8-6(7)5(2)9/h5,9H,3-4H2,1-2H3 |
| InChIKey | SZNSBSIVODFXBS-UHFFFAOYSA-N |
| Molecular Weight | 148.220 g/mol |
| SMILES | C(=O)(C(S)C)OCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97859 |