![Propanoic acid, 3-[4-(methylsulfinyl)phenoxy]-](/api/spectrum/IYigYJLIU1c/structure.png?h=300&w=458 "Propanoic acid, 3-[4-(methylsulfinyl)phenoxy]-")
| SpectraBase Compound ID | 8orQCT56r6I |
|---|---|
| InChI | InChI=1S/C10H12O4S/c1-15(13)9-4-2-8(3-5-9)14-7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12) |
| InChIKey | GXEXETKQRDWPCN-UHFFFAOYSA-N |
| Mol Weight | 228.26 g/mol |
| Molecular Formula | C10H12O4S |
| Exact Mass | 228.04563 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IYigYJLIU1c |
|---|---|
| Name | Propanoic acid, 3-[4-(methylsulfinyl)phenoxy]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.045630036 u |
| Formula | C10H12O4S |
| InChI | InChI=1S/C10H12O4S/c1-15(13)9-4-2-8(3-5-9)14-7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12) |
| InChIKey | GXEXETKQRDWPCN-UHFFFAOYSA-N |
| Molecular Weight | 228.262 g/mol |
| SMILES | CS(=O)C1=CC=C(C=C1)OCCC(O)=O |