![2-[(4-Methoxyphenyl)sulfanyl]acetic acid, methyl ester](/api/spectrum/3iCIvpTNndX/structure.png?h=300&w=458 "2-[(4-Methoxyphenyl)sulfanyl]acetic acid, methyl ester")
| SpectraBase Compound ID | 8prkDLWQE2y |
|---|---|
| InChI | InChI=1S/C10H12O3S/c1-12-8-3-5-9(6-4-8)14-7-10(11)13-2/h3-6H,7H2,1-2H3 |
| InChIKey | REBUBAFDERZGAC-UHFFFAOYSA-N |
| Mol Weight | 212.26 g/mol |
| Molecular Formula | C10H12O3S |
| Exact Mass | 212.050715 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 | 3iCIvpTNndX |
|---|---|
| Name | 2-[(4-Methoxyphenyl)sulfanyl]acetic acid, 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/c1-12-8-3-5-9(6-4-8)14-7-10(11)13-2/h3-6H,7H2,1-2H3 |
| InChIKey | REBUBAFDERZGAC-UHFFFAOYSA-N |
| Molecular Weight | 212.263 g/mol |
| SMILES | C(SC1=CC=C(C=C1)OC)C(=O)OC |