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(2S,5R) 2-Isopropenyl-6-(3-oxobutyl)-5-methylcyclohexanone
SpectraBase Compound ID GUpa5Vl8PKQ
InChI InChI=1S/C14H22O2/c1-9(2)12-7-5-10(3)13(14(12)16)8-6-11(4)15/h10,12-13H,1,5-8H2,2-4H3/t10-,12+,13?/m1/s1
InChIKey RUKFHLSRHFSASB-FVBASEICSA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HkWHxWFzd6a
Name (2S,5R) 2-Isopropenyl-6-(3-oxobutyl)-5-methylcyclohexanone
Alternate Name(s) (3R,6S)-6-isopropenyl-3-methyl-2-(3-oxobutyl)cyclohexanone 2-Isopropenyl)-6-(3-oxobutyl)-5-methylcyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-9(2)12-7-5-10(3)13(14(12)16)8-6-11(4)15/h10,12-13H,1,5-8H2,2-4H3/t10-,12+,13?/m1/s1
InChIKey RUKFHLSRHFSASB-FVBASEICSA-N
Molecular Weight 222.328 g/mol
SMILES C1([C@](C(=C)C)(CC[C@](C1CCC(=O)C)(C)[H])[H])=O
SPLASH splash10-0c00-0960000000-abe24b14b62d215e8f4c
Source of Spectrum KC-0-3441-12
Wiley ID 823918