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Cyclohexanone, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis-, (R*,R*)-(.+-.)-
SpectraBase Compound ID BYc6MxlabS3
InChI InChI=1S/C18H30O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h13-14,17-18H,3-12H2,1-2H3/t17-,18-/m1/s1
InChIKey PDJCYKNESXITTF-QZTJIDSGSA-N
Mol Weight 278.44 g/mol
Molecular Formula C18H30O2
Exact Mass 278.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BJxEA7hXYen
Name Cyclohexanone, 4,4'-(1,2-diethyl-1,2-ethanediyl)bis-, (R*,R*)-(.+-.)-
Alternate Name(s) 3,4-bis-(p-oxocyclohexyl)-hexane (mixture of racemic and meso isomers) 4-[(1R,2R)-1-ethyl-2-(4-oxocyclohexyl)butyl]cyclohexanone Cyclohexanone, 4,4'-(1,2-diethylethylene)di-, threo-(.+-.)- PRDX
CAS Registry Number 20519-67-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H30O2
InChI InChI=1S/C18H30O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h13-14,17-18H,3-12H2,1-2H3/t17-,18-/m1/s1
InChIKey PDJCYKNESXITTF-QZTJIDSGSA-N
Molecular Weight 278.436 g/mol
SMILES [C@@]([C@@](C1CCC(CC1)=O)(CC)[H])(C1CCC(CC1)=O)(CC)[H]
SPLASH splash10-07e3-9510000000-064870a077708f94b116
Source of Spectrum AC-1979-661-5
Wiley ID 1282444