| SpectraBase Compound ID | jsmgPzVTEy |
|---|---|
| InChI | InChI=1S/C10H9NO4S/c1-15-10(12)8-4-2-3-5-9(8)16(13,14)7-6-11/h2-5H,7H2,1H3 |
| InChIKey | GSBCUUXSBJVYLU-UHFFFAOYSA-N |
| Mol Weight | 239.24 g/mol |
| Molecular Formula | C10H9NO4S |
| Exact Mass | 239.025229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L3kTh4f0lK3 |
|---|---|
| Name | 2-(Cyanomethyl-sulfonyl)-benzoic acid, methyl ester |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C10H9NO4S |
| InChI | InChI=1S/C10H9NO4S/c1-15-10(12)8-4-2-3-5-9(8)16(13,14)7-6-11/h2-5H,7H2,1H3 |
| InChIKey | GSBCUUXSBJVYLU-UHFFFAOYSA-N |
| Instrument Name | Bruker WH-90 |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |