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2-Isobutyl-1,4-dimethylcyclohexane
SpectraBase Compound ID HYD8JqZVU8u
InChI InChI=1S/C12H24/c1-9(2)7-12-8-10(3)5-6-11(12)4/h9-12H,5-8H2,1-4H3
InChIKey ZYJPKZNMMTYTPA-UHFFFAOYSA-N
Mol Weight 168.32 g/mol
Molecular Formula C12H24
Exact Mass 168.187801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HA2kf0pQWbm
Name 2-Isobutyl-1,4-dimethylcyclohexane
Alternate Name(s) Cyclohexane, 1,4-dimethyl-2-(2-methylpropyl)-, (1.alpha.,2.beta.,4.alpha.)- 1,4-Dimethyl-2-(2-methylpropyl)cyclohexane cis,cis,cis-1-Isobutyl-2,5-dimethylcyclohexane Cyclohexane, 1,4-dimethyl-2-(2-methylpropyl)-, (1R,2R,4R)-rel- cis,trans,cis-1-Isobutyl-2,5-dimethylcyclohexane 2-Isobutyl-1,4-dimethylcyclohexane, (1.alpha.,2.beta.,4.alpha.)-
CAS Registry Number 54411-17-5
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H24
InChI InChI=1S/C12H24/c1-9(2)7-12-8-10(3)5-6-11(12)4/h9-12H,5-8H2,1-4H3
InChIKey ZYJPKZNMMTYTPA-UHFFFAOYSA-N
Molecular Weight 168.324 g/mol
SMILES C(CC1C(C)CCC(C1)C)(C)C
SPLASH splash10-0903-9200000000-9da33663fc65a801ca41
Source of Spectrum MA-0-0-0
Wiley ID 1159380