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3-Isobutyl-5-methyl-2-hexanone
SpectraBase Compound ID 4EfXBknOUaT
InChI InChI=1S/C11H22O/c1-8(2)6-11(10(5)12)7-9(3)4/h8-9,11H,6-7H2,1-5H3
InChIKey QHWIAGPQYKXGQV-UHFFFAOYSA-N
Mol Weight 170.3 g/mol
Molecular Formula C11H22O
Exact Mass 170.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID mFd2yt7ZzM
Name 3-Isobutyl-5-methyl-2-hexanone
Alternate Name(s) 1,1-Di(isobutyl)acetone 3-isobutyl-5-methyl-hexan-2-one 5-Methyl-3-(2-methylpropyl)-2-hexanone 5-Methyl-3-(2-methylpropyl)hexan-2-one
CAS Registry Number 40264-43-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O
InChI InChI=1S/C11H22O/c1-8(2)6-11(10(5)12)7-9(3)4/h8-9,11H,6-7H2,1-5H3
InChIKey QHWIAGPQYKXGQV-UHFFFAOYSA-N
Molecular Weight 170.296 g/mol
SMILES C(=O)(C(CC(C)C)CC(C)C)C
SPLASH splash10-006x-9000000000-b412878093abd3819131
Wiley ID 1476922