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(3-hydroxy-3-methylbi(cyclohexan)-2-yl)-phenyl-methanone
SpectraBase Compound ID F1tJT5iAJpw
InChI InChI=1S/C20H28O2/c1-20(22)14-8-13-17(15-9-4-2-5-10-15)18(20)19(21)16-11-6-3-7-12-16/h3,6-7,11-12,15,17-18,22H,2,4-5,8-10,13-14H2,1H3/t17-,18+,20+/m0/s1
InChIKey ZALIQVZOORXFMG-NLWGTHIKSA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G8L2OYndkAE
Name (3-hydroxy-3-methylbi(cyclohexan)-2-yl)-phenyl-methanone
Alternate Name(s) ((1S,2S,3R)-3-hydroxy-3-methyl-[1,1'-bi(cyclohexan)]-2-yl)(phenyl)methanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-20(22)14-8-13-17(15-9-4-2-5-10-15)18(20)19(21)16-11-6-3-7-12-16/h3,6-7,11-12,15,17-18,22H,2,4-5,8-10,13-14H2,1H3/t17-,18+,20+/m0/s1
InChIKey ZALIQVZOORXFMG-NLWGTHIKSA-N
Literature Reference DOI 10.1021/ol9014943
Molecular Weight 300.442 g/mol
SMILES O[C@@]1(CCC[C@@](C2CCCCC2)([C@@]1(C(c1ccccc1)=O)[H])[H])C
SPLASH splash10-054o-5891000000-d4728ac098880382614f
Source of Spectrum A1-11-3778/SMS5-3
Wiley ID 1757211