| SpectraBase Compound ID | 8ajLAPJn2pY |
|---|---|
| InChI | InChI=1S/C13H18O3S/c1-13(2,3)12(14)17-9-6-7-10(15-4)11(8-9)16-5/h6-8H,1-5H3 |
| InChIKey | NSGGEQUAUXNCTO-UHFFFAOYSA-N |
| Mol Weight | 254.34 g/mol |
| Molecular Formula | C13H18O3S |
| Exact Mass | 254.097666 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LMGTnMKiKj8 |
|---|---|
| Name | 3,4-Dimethoxythiophenol, S-trimethylacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.097665611 u |
| Formula | C13H18O3S |
| InChI | InChI=1S/C13H18O3S/c1-13(2,3)12(14)17-9-6-7-10(15-4)11(8-9)16-5/h6-8H,1-5H3 |
| InChIKey | NSGGEQUAUXNCTO-UHFFFAOYSA-N |
| Molecular Weight | 254.344 g/mol |
| SMILES | C1(SC(C(C)(C)C)=O)=CC(=C(C=C1)OC)OC |