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(3S)-1-Formyl-3-(5-hydroxy-5-methylhexyl)-2,4-dimethylcyclohexane isomer
SpectraBase Compound ID AdnlIA6mUIe
InChI InChI=1S/C16H30O2/c1-12-8-9-14(11-17)13(2)15(12)7-5-6-10-16(3,4)18/h11-15,18H,5-10H2,1-4H3/t12?,13?,14-,15-/m0/s1
InChIKey XPTJFXQNTPHLQF-WUCCLRPBSA-N
Mol Weight 254.41 g/mol
Molecular Formula C16H30O2
Exact Mass 254.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0icDgRWamr
Name (3S)-1-Formyl-3-(5-hydroxy-5-methylhexyl)-2,4-dimethylcyclohexane isomer
Alternate Name(s) (1R,3S)-3-(5-Hydroxy-5-methyl-hexyl)-2,4-dimethyl-cyclohexanecarbaldehyde (3S)-3-(5-hydroxy-5-methylhexyl)-2,4-dimethylcyclohexanecarbaldehyde 1-Formyl-3-(5-hydroxy-5-methylhexyl)-2,4-dimethylcyclohexane isomer
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Formula C16H30O2
InChI InChI=1S/C16H30O2/c1-12-8-9-14(11-17)13(2)15(12)7-5-6-10-16(3,4)18/h11-15,18H,5-10H2,1-4H3/t12?,13?,14-,15-/m0/s1
InChIKey XPTJFXQNTPHLQF-WUCCLRPBSA-N
Molecular Weight 254.414 g/mol
SMILES OC(CCCC[C@@]1(C([C@@](CCC1C)(C=O)[H])C)[H])(C)C
SPLASH splash10-0a4i-9000000000-64c73dd3803052b65ea7
Source of Spectrum QE-7-530-24
Wiley ID 845293