| SpectraBase Compound ID | 3MiAUCihAfX |
|---|---|
| InChI | InChI=1S/C7H10O3S/c1-10-7(9)5-4-11-3-2-6(5)8/h5H,2-4H2,1H3 |
| InChIKey | MCUXKFHPGMEIIW-UHFFFAOYSA-N |
| Mol Weight | 174.21 g/mol |
| Molecular Formula | C7H10O3S |
| Exact Mass | 174.035065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1hhHRZiJpyg |
|---|---|
| Name | 4-Oxo-3-thianecarboxylic acid, methyl ester |
| CAS Registry Number | 4160-61-6 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H10O3S |
| InChI | InChI=1S/C7H10O3S/c1-10-7(9)5-4-11-3-2-6(5)8/h5H,2-4H2,1H3 |
| InChIKey | MCUXKFHPGMEIIW-UHFFFAOYSA-N |
| Instrument Name | Bruker AM-270 |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | DMSO-D6 |