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4-Heptanone, 2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-, [S-(R*,S*)]-
SpectraBase Compound ID 66zoOkrkXIU
InChI InChI=1S/C15H26O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,11,13-14H,6-10H2,1-4H3
InChIKey KQKCQDAWNOKFQQ-UHFFFAOYSA-N
Mol Weight 222.37 g/mol
Molecular Formula C15H26O
Exact Mass 222.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6KRUzZ9w1cs
Name 4-Heptanone, 2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-, [S-(R*,S*)]-
Alternate Name(s) 2-Methyl-6-(4-methyl-3-cyclohexen-1-yl)-4-heptanone 2-Methyl-6-(4-methyl-1-cyclohex-3-enyl)-4-heptanone 2-Methyl-6-(4-methylcyclohex-3-en-1-yl)heptan-4-one
CAS Registry Number 26462-77-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O
InChI InChI=1S/C15H26O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,11,13-14H,6-10H2,1-4H3
InChIKey KQKCQDAWNOKFQQ-UHFFFAOYSA-N
Molecular Weight 222.372 g/mol
SMILES C(C(C)C1CCC(=CC1)C)C(CC(C)C)=O
SPLASH splash10-00dl-9810000000-7f4e244d1d30b04bf78f
Source of Spectrum AD-0-4634-0
Wiley ID 29008