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[3-benzoyl-4-[(E)-3,3-dimethylbut-1-enyl]-4-hydroxy-2,5,6-trimethyl-cyclohexyl]-phenyl-methanone
SpectraBase Compound ID 6Ji71U2Dmxl
InChI InChI=1S/C29H36O3/c1-19-21(3)29(32,18-17-28(4,5)6)25(27(31)23-15-11-8-12-16-23)20(2)24(19)26(30)22-13-9-7-10-14-22/h7-21,24-25,32H,1-6H3/b18-17+
InChIKey WFTOUXAYLLEHOU-ISLYRVAYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C29H36O3
Exact Mass 432.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eazbwvapn0j
Name [3-benzoyl-4-[(E)-3,3-dimethylbut-1-enyl]-4-hydroxy-2,5,6-trimethyl-cyclohexyl]-phenyl-methanone
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H36O3
InChI InChI=1S/C29H36O3/c1-19-21(3)29(32,18-17-28(4,5)6)25(27(31)23-15-11-8-12-16-23)20(2)24(19)26(30)22-13-9-7-10-14-22/h7-21,24-25,32H,1-6H3/b18-17+
InChIKey WFTOUXAYLLEHOU-ISLYRVAYSA-N
Molecular Weight 432.604 g/mol
SMILES OC1(C(C(C)C(C(C1C)C)C(=O)c1ccccc1)C(=O)c1ccccc1)\C=C\C(C)(C)C
SPLASH splash10-014i-0490000000-0e541e4e9bbe70706b5f
Source of Spectrum AJ-64-3000-10
Synonyms [4-[(E)-3,3-dimethylbut-1-enyl]-2,3,6-trimethyl-4-oxidanyl-5-(phenylcarbonyl)cyclohexyl]-phenyl-methanone
Wiley ID 1382534