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2,6-Dimethyl-4-heptanone

View entire compound with spectra: 18 NMR, 15 FTIR, 1 Raman, 18 MS (GC), and 2 Near IR

2,6-Dimethyl-4-heptanone
SpectraBase Compound ID 5jn2OmKSw7W
InChI InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKey PTTPXKJBFFKCEK-UHFFFAOYSA-N
Mol Weight 142.24 g/mol
Molecular Formula C9H18O
Exact Mass 142.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3JuprAA7hia
Name 4-HEPTANONE, 2,6-DIMETHYL-
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 142.135765199 u
Formula C9H18O
InChI InChI=1S/C9H18O/c1-7(2)5-9(10)6-8(3)4/h7-8H,5-6H2,1-4H3
InChIKey PTTPXKJBFFKCEK-UHFFFAOYSA-N
Molecular Weight 142.242 g/mol
Nominal Mass 142 u
Number of Peaks 21
SMILES C(C)(CC(=O)CC(C)C)C
SPLASH splash10-0a70-9000000000-e47e499f548e044b6f35
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX000343