| SpectraBase Compound ID | 3yNPfpEKvq1 |
|---|---|
| InChI | InChI=1S/C10H12O3S/c1-7(11)14-8-4-5-9(12-2)10(6-8)13-3/h4-6H,1-3H3 |
| InChIKey | BOFMSRRUDUHCPK-UHFFFAOYSA-N |
| Mol Weight | 212.26 g/mol |
| Molecular Formula | C10H12O3S |
| Exact Mass | 212.050715 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ExVDN6tlEfp |
|---|---|
| Name | 3,4-Dimethoxythiophenol, S-acetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.050715417 u |
| Formula | C10H12O3S |
| InChI | InChI=1S/C10H12O3S/c1-7(11)14-8-4-5-9(12-2)10(6-8)13-3/h4-6H,1-3H3 |
| InChIKey | BOFMSRRUDUHCPK-UHFFFAOYSA-N |
| Molecular Weight | 212.263 g/mol |
| SMILES | C1(SC(C)=O)=CC(=C(C=C1)OC)OC |