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2,6-Bis-(hydroxy-phenyl-methyl)-cyclohexanone
SpectraBase Compound ID 1039eCOpey6
InChI InChI=1S/C20H22O3/c21-18(14-8-3-1-4-9-14)16-12-7-13-17(20(16)23)19(22)15-10-5-2-6-11-15/h1-6,8-11,16-19,21-22H,7,12-13H2
InChIKey ITPSDCDUMAWRTR-UHFFFAOYSA-N
Mol Weight 310.39 g/mol
Molecular Formula C20H22O3
Exact Mass 310.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D9FdJVIWZXb
Name 2,6-Bis-(hydroxy-phenyl-methyl)-cyclohexanone
Alternate Name(s) 2,6-bis[hydroxy(phenyl)methyl]-1-cyclohexanone 2,6-bis[hydroxy(phenyl)methyl]cyclohexan-1-one 2,6-bis[oxidanyl(phenyl)methyl]cyclohexan-1-one
CAS Registry Number 42052-59-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O3
InChI InChI=1S/C20H22O3/c21-18(14-8-3-1-4-9-14)16-12-7-13-17(20(16)23)19(22)15-10-5-2-6-11-15/h1-6,8-11,16-19,21-22H,7,12-13H2
InChIKey ITPSDCDUMAWRTR-UHFFFAOYSA-N
Molecular Weight 310.393 g/mol
SMILES OC(C1C(C(C(O)c2ccccc2)CCC1)=O)c1ccccc1
SPLASH splash10-0a6s-9400000000-d9b52c458f297b040735
Wiley ID 1484471