| SpectraBase Compound ID | APDrCuPXONX |
|---|---|
| InChI | InChI=1S/C8H10O4S2/c1-12-7(9)4-6-14(10,11)8-3-2-5-13-8/h2-3,5H,4,6H2,1H3 |
| InChIKey | QAHDTOVRDHDFAS-UHFFFAOYSA-N |
| Mol Weight | 234.28 g/mol |
| Molecular Formula | C8H10O4S2 |
| Exact Mass | 234.002051 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 | B21qJOJa7ZB |
|---|---|
| Name | Propanoic acid, 3-(2-thienylsulfonyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.002051146 u |
| Formula | C8H10O4S2 |
| InChI | InChI=1S/C8H10O4S2/c1-12-7(9)4-6-14(10,11)8-3-2-5-13-8/h2-3,5H,4,6H2,1H3 |
| InChIKey | QAHDTOVRDHDFAS-UHFFFAOYSA-N |
| Molecular Weight | 234.284 g/mol |
| SMILES | COC(CCS(C=1SC=CC1)(=O)=O)=O |