| SpectraBase Compound ID | sTDX0nrICx |
|---|---|
| InChI | InChI=1S/C9H10O3S/c1-12-7-4-2-3-5-8(7)13-6-9(10)11/h2-5H,6H2,1H3,(H,10,11) |
| InChIKey | UGPJOWVEIXPMSH-UHFFFAOYSA-N |
| Mol Weight | 198.24 g/mol |
| Molecular Formula | C9H10O3S |
| Exact Mass | 198.035065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | D5J46wM7Jbr |
|---|---|
| Name | (o-Methoxyphenylthio)acetic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.035065353 u |
| Formula | C9H10O3S |
| InChI | InChI=1S/C9H10O3S/c1-12-7-4-2-3-5-8(7)13-6-9(10)11/h2-5H,6H2,1H3,(H,10,11) |
| InChIKey | UGPJOWVEIXPMSH-UHFFFAOYSA-N |
| Molecular Weight | 198.236 g/mol |
| SMILES | C1(=C(C=CC=C1)SCC(O)=O)OC |