| SpectraBase Compound ID | 82nEAhThWM8 |
|---|---|
| InChI | InChI=1S/C12H16O3S/c1-8(2)12(13)16-9-5-6-10(14-3)11(7-9)15-4/h5-8H,1-4H3 |
| InChIKey | XNIGDYAYILPYIA-UHFFFAOYSA-N |
| Mol Weight | 240.32 g/mol |
| Molecular Formula | C12H16O3S |
| Exact Mass | 240.082016 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1gIz4wT3v7r |
|---|---|
| Name | 3,4-Dimethoxythiophenol, S-(2-methylpropionyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.082015546 u |
| Formula | C12H16O3S |
| InChI | InChI=1S/C12H16O3S/c1-8(2)12(13)16-9-5-6-10(14-3)11(7-9)15-4/h5-8H,1-4H3 |
| InChIKey | XNIGDYAYILPYIA-UHFFFAOYSA-N |
| Molecular Weight | 240.317 g/mol |
| SMILES | C1(SC(C(C)C)=O)=CC(=C(C=C1)OC)OC |