![Acetic acid, [4-(methylthio)phenoxy]-, methyl ester](/api/spectrum/FLhBkzyxCrJ/structure.png?h=300&w=458 "Acetic acid, [4-(methylthio)phenoxy]-, methyl ester")
| SpectraBase Compound ID | EXSKYDSgIKY |
|---|---|
| InChI | InChI=1S/C10H12O3S/c1-12-10(11)7-13-8-3-5-9(14-2)6-4-8/h3-6H,7H2,1-2H3 |
| InChIKey | JPKJSPASKXOVKY-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 | FLhBkzyxCrJ |
|---|---|
| Name | Acetic acid, [4-(methylthio)phenoxy]-, methyl ester |
| 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/c1-12-10(11)7-13-8-3-5-9(14-2)6-4-8/h3-6H,7H2,1-2H3 |
| InChIKey | JPKJSPASKXOVKY-UHFFFAOYSA-N |
| Molecular Weight | 212.263 g/mol |
| SMILES | C1=C(C=CC(=C1)SC)OCC(OC)=O |