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4-BENZYL-4-CYANO-5-HEXYL-1,3-CYCLOHEXANEDIONE

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4-BENZYL-4-CYANO-5-HEXYL-1,3-CYCLOHEXANEDIONE
SpectraBase Compound ID EoqzkqxQfJJ
InChI InChI=1S/C20H25NO2/c1-2-3-4-8-11-17-12-18(22)13-19(23)20(17,15-21)14-16-9-6-5-7-10-16/h5-7,9-10,13,17,22H,2-4,8,11-12,14H2,1H3
InChIKey GDORCMVWVAUDBF-UHFFFAOYSA-N
Mol Weight 311.43 g/mol
Molecular Formula C20H25NO2
Exact Mass 311.188529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2DXQly8Osfo
Name 4-BENZYL-4-CYANO-5-HEXYL-1,3-CYCLOHEXANEDIONE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25NO2
InChI InChI=1S/C20H25NO2/c1-2-3-4-8-11-17-12-18(22)13-19(23)20(17,15-21)14-16-9-6-5-7-10-16/h5-7,9-10,13,17,22H,2-4,8,11-12,14H2,1H3
InChIKey GDORCMVWVAUDBF-UHFFFAOYSA-N
Melting Point 149C
Molecular Weight 311.43
Solvent Polysol; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 3-CYCLOHEXENE-1-CARBONITRILE, 1- BENZYL-6-HEXYL-4-HYDROXY-2-OXO-, CYCLOHEXANECARBONITRILE, 1-BENZYL- 2,4-DIOXO-6-HEXYL-,