| SpectraBase Compound ID | 8wJ5qqYtmQw |
|---|---|
| InChI | InChI=1S/C7H6O3S/c1-9-7(8)5-2-3-6(11)10-4-5/h2-4H,1H3 |
| InChIKey | ALWKNTAOXLIPMV-UHFFFAOYSA-N |
| Mol Weight | 170.18 g/mol |
| Molecular Formula | C7H6O3S |
| Exact Mass | 170.003765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J3xKczwqyeo |
|---|---|
| Name | 6-thioxopyran-3-carboxylic acid methyl ester |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C7H6O3S |
| InChI | InChI=1S/C7H6O3S/c1-9-7(8)5-2-3-6(11)10-4-5/h2-4H,1H3 |
| InChIKey | ALWKNTAOXLIPMV-UHFFFAOYSA-N |
| Literature Reference Author | ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ |
| Literature Reference Citation | UNI_MAINZ,INTERNAL_DB(2006) |
| Molecular Weight | 170.183 g/mol |
| Source File Reference | MHKO9642 |