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2-(2-iodobenzyl)-2-(3-ketobutyl)cyclohexane-1,3-quinone
SpectraBase Compound ID KFp3VnyZd6N
InChI InChI=1S/C17H19IO3/c1-12(19)9-10-17(15(20)7-4-8-16(17)21)11-13-5-2-3-6-14(13)18/h2-3,5-6H,4,7-11H2,1H3
InChIKey FIDVAQRABXKNAP-UHFFFAOYSA-N
Mol Weight 398.24 g/mol
Molecular Formula C17H19IO3
Exact Mass 398.037889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbWzWpYqfUs
Name 2-(2-iodobenzyl)-2-(3-ketobutyl)cyclohexane-1,3-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19IO3
InChI InChI=1S/C17H19IO3/c1-12(19)9-10-17(15(20)7-4-8-16(17)21)11-13-5-2-3-6-14(13)18/h2-3,5-6H,4,7-11H2,1H3
InChIKey FIDVAQRABXKNAP-UHFFFAOYSA-N
Molecular Weight 398.240 g/mol
SMILES C1(Cc2c(I)cccc2)(C(=O)CCCC1=O)CCC(=O)C
SPLASH splash10-06dl-8891000000-6844712c80272a398418
Source of Spectrum SK-24-287-5
Synonyms 2-[(2-iodanylphenyl)methyl]-2-(3-oxidanylidenebutyl)cyclohexane-1,3-dione 2-[(2-iodophenyl)methyl]-2-(3-oxobutyl)cyclohexane-1,3-dione
Wiley ID 866067