| SpectraBase Compound ID | 4HxdE46nekD |
|---|---|
| InChI | InChI=1S/C9H9NO3S/c1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h2-5H,7H2,1H3 |
| InChIKey | PFXOLUYGXYEFOR-UHFFFAOYSA-N |
| Mol Weight | 211.23 g/mol |
| Molecular Formula | C9H9NO3S |
| Exact Mass | 211.030314 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CdBV35bmbJw |
|---|---|
| Name | 4-Toluenesulfonic acid, cyanomethyl ester |
| CAS Registry Number | 14562-04-0 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C9H9NO3S |
| InChI | InChI=1S/C9H9NO3S/c1-8-2-4-9(5-3-8)14(11,12)13-7-6-10/h2-5H,7H2,1H3 |
| InChIKey | PFXOLUYGXYEFOR-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |