| SpectraBase Compound ID | 61I6i0cBq27 |
|---|---|
| InChI | InChI=1S/C10H10O3S/c1-7(11)13-10(12)8-3-5-9(14-2)6-4-8/h3-6H,1-2H3 |
| InChIKey | IRXYDOGVPASQSA-UHFFFAOYSA-N |
| Mol Weight | 210.25 g/mol |
| Molecular Formula | C10H10O3S |
| Exact Mass | 210.035065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7BUlQAlpfH1 |
|---|---|
| Name | 4-(Methylthio)benzoic acetic anhydride |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.035065353 u |
| Formula | C10H10O3S |
| InChI | InChI=1S/C10H10O3S/c1-7(11)13-10(12)8-3-5-9(14-2)6-4-8/h3-6H,1-2H3 |
| InChIKey | IRXYDOGVPASQSA-UHFFFAOYSA-N |
| Molecular Weight | 210.247 g/mol |
| SMILES | C1=CC(=CC=C1C(OC(C)=O)=O)SC |