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2-[2'-(2''-hydroxy-2'',6'',6''-trimethylcyclohexyl)ethyl]-3-isopropyl-p-benzoquinone

View entire compound with spectra: 1 MS (GC)

2-[2'-(2''-hydroxy-2'',6'',6''-trimethylcyclohexyl)ethyl]-3-isopropyl-p-benzoquinone
SpectraBase Compound ID 4CFqdfHXGH3
InChI InChI=1S/C20H30O3/c1-13(2)18-14(15(21)8-9-16(18)22)7-10-17-19(3,4)11-6-12-20(17,5)23/h8-9,13,17,23H,6-7,10-12H2,1-5H3/t17-,20-/m0/s1
InChIKey OITAWJHOOGTNAS-PXNSSMCTSA-N
Mol Weight 318.46 g/mol
Molecular Formula C20H30O3
Exact Mass 318.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3rkEMBZxa4
Name 2-[2'-(2''-hydroxy-2'',6'',6''-trimethylcyclohexyl)ethyl]-3-isopropyl-p-benzoquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O3
InChI InChI=1S/C20H30O3/c1-13(2)18-14(15(21)8-9-16(18)22)7-10-17-19(3,4)11-6-12-20(17,5)23/h8-9,13,17,23H,6-7,10-12H2,1-5H3/t17-,20-/m0/s1
InChIKey OITAWJHOOGTNAS-PXNSSMCTSA-N
Molecular Weight 318.457 g/mol
SMILES O[C@@]1([C@@](CCC2=C(C(=O)C=CC2=O)C(C)C)(C(CCC1)(C)C)[H])C
SPLASH splash10-05mo-7089000000-a203e544ad16644470e2
Source of Spectrum JA-50-933-0
Synonyms 2-[2'-(2''-hydroxy-2'',6'',6''-trimethylcyclohexyl)ethyl]-3-isopropyl-p-benzoquinone 2-[2-((1S,2S)-2-Hydroxy-2,6,6-trimethyl-cyclohexyl)-ethyl]-3-isopropyl-[1,4]benzoquinone 2-[2-(2-hydroxy-2,6,6-trimethylcyclohexyl)ethyl]-3-isopropylbenzo-1,4-quinone
Wiley ID 1318842