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2,6-DIBENZOYL-5-(4-CHLOROPHENYL)-3-METHYL-CYCLOHEX-2-EN-1-ONE
SpectraBase Compound ID 8YDjq0dnlA2
InChI InChI=1S/C27H21ClO3/c1-17-16-22(18-12-14-21(28)15-13-18)24(26(30)20-10-6-3-7-11-20)27(31)23(17)25(29)19-8-4-2-5-9-19/h2-15,22,24H,16H2,1H3/t22-,24+/m1/s1
InChIKey XURKISSLOPVVDI-VWNXMTODSA-N
Mol Weight 428.92 g/mol
Molecular Formula C27H21ClO3
Exact Mass 428.117922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CM0tLO7IvvR
Name 2,6-DIBENZOYL-5-(4-CHLOROPHENYL)-3-METHYL-CYCLOHEX-2-EN-1-ONE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H21ClO3
InChI InChI=1S/C27H21ClO3/c1-17-16-22(18-12-14-21(28)15-13-18)24(26(30)20-10-6-3-7-11-20)27(31)23(17)25(29)19-8-4-2-5-9-19/h2-15,22,24H,16H2,1H3/t22-,24+/m1/s1
InChIKey XURKISSLOPVVDI-VWNXMTODSA-N
Literature Reference Author U.KUHL,U.HOLZGRABE
Literature Reference Citation MH.CHEM.,132,407(2001)
Literature Reference DOI 10.1007/s007060170127
Molecular Weight 428.915 g/mol
Solvent ACETONE-D6
Source File Reference UWSI3211