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5-n-butyl-2-methylcyclohexanone
SpectraBase Compound ID JQDzvDY81xA
InChI InChI=1S/C11H20O/c1-3-4-5-10-7-6-9(2)11(12)8-10/h9-10H,3-8H2,1-2H3
InChIKey VHAJHYQCDRWQHR-UHFFFAOYSA-N
Mol Weight 168.28 g/mol
Molecular Formula C11H20O
Exact Mass 168.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CpxBDd602bs
Name 5-n-butyl-2-methylcyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H20O
InChI InChI=1S/C11H20O/c1-3-4-5-10-7-6-9(2)11(12)8-10/h9-10H,3-8H2,1-2H3
InChIKey VHAJHYQCDRWQHR-UHFFFAOYSA-N
Molecular Weight 168.280 g/mol
SMILES C1(CC(CCCC)CCC1C)=O
SPLASH splash10-03dj-3900000000-23cc7c3078101377f701
Source of Spectrum C-97-114-0
Synonyms 5-Butyl-2-methylcyclohexanone
Wiley ID 1165174