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4-keto-2-(phenylamino)-6-(2,6,6-trimethyl-1-cyclohexenyl)-5,6-dihydrothiopyran-3-carbaldehyde
SpectraBase Compound ID CE5WKRDdA7q
InChI InChI=1S/C21H25NO2S/c1-14-8-7-11-21(2,3)19(14)18-12-17(24)16(13-23)20(25-18)22-15-9-5-4-6-10-15/h4-6,9-10,13,18,22H,7-8,11-12H2,1-3H3
InChIKey IGNUPNSJDYDSLY-UHFFFAOYSA-N
Mol Weight 355.5 g/mol
Molecular Formula C21H25NO2S
Exact Mass 355.1606 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7sYXlEUmjC5
Name 4-keto-2-(phenylamino)-6-(2,6,6-trimethyl-1-cyclohexenyl)-5,6-dihydrothiopyran-3-carbaldehyde
Compound Number 1Q
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H25NO2S
InChI InChI=1S/C21H25NO2S/c1-14-8-7-11-21(2,3)19(14)18-12-17(24)16(13-23)20(25-18)22-15-9-5-4-6-10-15/h4-6,9-10,13,18,22H,7-8,11-12H2,1-3H3
InChIKey IGNUPNSJDYDSLY-UHFFFAOYSA-N
Literature Reference Author E.KLEINPETER,M.HEYDENREICH,S.K.CHATTERJEE,W.D.RUDORF
Literature Reference Citation MAGN.RES.CHEM.,32,473(1994)
Literature Reference DOI 10.1002/mrc.1260320808
Molecular Weight 355.495 g/mol
Solvent CDCl3
Source File Reference UWCP2053