| SpectraBase Compound ID | E8DEFDk7vTd |
|---|---|
| InChI | InChI=1S/C16H18N2OS/c1-3-4-8-11-20-16-15(12-19)13(2)17-18(16)14-9-6-5-7-10-14/h3,5-7,9-10,12H,1,4,8,11H2,2H3 |
| InChIKey | ROLGYYPOKYSNJL-UHFFFAOYSA-N |
| Mol Weight | 286.39 g/mol |
| Molecular Formula | C16H18N2OS |
| Exact Mass | 286.113984 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LldMDzzl86C |
|---|---|
| Name | 3-METHYL-5-(3-METHYLBUT-2-EN-1-YLSULFANYL)-1-PHENYLPYRAZOLE-4-CARBALDEHYDE |
| Compound Number | 22 |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI | InChI=1S/C16H18N2OS/c1-3-4-8-11-20-16-15(12-19)13(2)17-18(16)14-9-6-5-7-10-14/h3,5-7,9-10,12H,1,4,8,11H2,2H3 |
| InChIKey | ROLGYYPOKYSNJL-UHFFFAOYSA-N |
| Literature Reference | G.LABBE,S.EMMERS,W.DEHAEN,L.K.DYALL J.CHEM.SOC.PERKIN-1,2553(1994) |
| Solvent | Chloroform-d |