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4'-(1'',1''-Dimethylpropyl)cyclohexyl 2-cyclohexyl-2-oxoacetate
SpectraBase Compound ID J5tznQ633MD
InChI InChI=1S/C19H32O3/c1-4-19(2,3)15-10-12-16(13-11-15)22-18(21)17(20)14-8-6-5-7-9-14/h14-16H,4-13H2,1-3H3
InChIKey XXEQYAODMLGTMB-UHFFFAOYSA-N
Mol Weight 308.5 g/mol
Molecular Formula C19H32O3
Exact Mass 308.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BaeeP8eb75z
Name (cyclohexyl)oxoacetic acid 4-(1,1-dimethylpropyl)-1-cyclohexyl ester
Appearance Yellowish oil
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Formula C19H32O3
InChI InChI=1S/C19H32O3/c1-4-19(2,3)15-10-12-16(13-11-15)22-18(21)17(20)14-8-6-5-7-9-14/h14-16H,4-13H2,1-3H3
InChIKey XXEQYAODMLGTMB-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 308.462 g/mol
SMILES C1CCCC(C1)C(C(OC1CCC(CC1)C(CC)(C)C)=O)=O
SPLASH splash10-05gm-9000000000-1431ee1d477fd0b8728b
Sample Comments Cis/trans (38:62)
Source of Spectrum CN1160306C
Wiley ID 1843821