| SpectraBase Compound ID | IZIrggIZnod |
|---|---|
| InChI | InChI=1S/C9H13NOS/c1-8-3-5-9(7-10,6-4-8)12-11-2/h3H,4-6H2,1-2H3 |
| InChIKey | XOHURDBJYWNGDH-UHFFFAOYSA-N |
| Mol Weight | 183.27 g/mol |
| Molecular Formula | C9H13NOS |
| Exact Mass | 183.071785 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KM37mJKKnLN |
|---|---|
| Name | 1-Cyano-4-methyl-1-methylsulfinyl-3-cyclohexene |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C9H13NOS |
| InChI | InChI=1S/C9H13NOS/c1-8-3-5-9(7-10,6-4-8)12-11-2/h3H,4-6H2,1-2H3 |
| InChIKey | XOHURDBJYWNGDH-UHFFFAOYSA-N |
| Instrument Name | SF = 200 MHz |
| Literature Reference | Tetrahedron 42, 3871 (1986). |
| NMR Standard | not reported |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |