| SpectraBase Compound ID | 7JwmnDRyJ8l |
|---|---|
| InChI | InChI=1S/C6H12O2S/c1-6(2,9)3-4-8-5-7/h5,9H,3-4H2,1-2H3 |
| InChIKey | VTAPYUYITKYXJB-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 | DLJo0DiEOKI |
|---|---|
| Name | 3-Mercapto-3-methylbutyl formate (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/c1-6(2,9)3-4-8-5-7/h5,9H,3-4H2,1-2H3 |
| InChIKey | VTAPYUYITKYXJB-UHFFFAOYSA-N |
| Molecular Weight | 148.220 g/mol |
| SMILES | C(CCOC=O)(S)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.809318 |