| SpectraBase Compound ID | CozrplyuWRX |
|---|---|
| InChI | InChI=1S/C9H8O2S/c1-11-9(10)8-6-4-2-3-5-7(6)12-8/h2-5,8H,1H3 |
| InChIKey | GKKWPEGHSYGKRP-UHFFFAOYSA-N |
| Mol Weight | 180.22 g/mol |
| Molecular Formula | C9H8O2S |
| Exact Mass | 180.024501 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6WpDvNvd6e6 |
|---|---|
| Name | 2H-Benzothiet-2-carboxylic acid, methyl ester |
| CAS Registry Number | 58150-62-2 |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C9H8O2S |
| InChI | InChI=1S/C9H8O2S/c1-11-9(10)8-6-4-2-3-5-7(6)12-8/h2-5,8H,1H3 |
| InChIKey | GKKWPEGHSYGKRP-UHFFFAOYSA-N |
| Instrument Name | Bruker WP-60 |
| Literature Reference | E. Voigt, H. Meier, Chem. Ber. 110, 2242 (1977). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |