| SpectraBase Compound ID | KZq8A9FrTUv |
|---|---|
| InChI | InChI=1S/C9H12O2S/c1-2-3-7-12-9(10)8-5-4-6-11-8/h4-6H,2-3,7H2,1H3 |
| InChIKey | MWYJEZXIAKCDTP-UHFFFAOYSA-N |
| Mol Weight | 184.25 g/mol |
| Molecular Formula | C9H12O2S |
| Exact Mass | 184.055801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 53EkzBRVIuR |
|---|---|
| Name | S-Butyl 2-furancarbothioate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.055800798 u |
| Formula | C9H12O2S |
| InChI | InChI=1S/C9H12O2S/c1-2-3-7-12-9(10)8-5-4-6-11-8/h4-6H,2-3,7H2,1H3 |
| InChIKey | MWYJEZXIAKCDTP-UHFFFAOYSA-N |
| Molecular Weight | 184.253 g/mol |
| SMILES | C(C=1OC=CC1)(SCCCC)=O |