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2,2,5-Trimethylhexan-4-one
SpectraBase Compound ID AjOCELbp8Lz
InChI InChI=1S/C9H18O/c1-7(2)8(10)6-9(3,4)5/h7H,6H2,1-5H3
InChIKey KJWBHOKFRSFCBZ-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 GnPHMkUa7z9
Name 2,5,5-Trimethyl-3-hexanone
Alternate Name(s) 2,5,5-trimethylhexan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O
InChI InChI=1S/C9H18O/c1-7(2)8(10)6-9(3,4)5/h7H,6H2,1-5H3
InChIKey KJWBHOKFRSFCBZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19801131208
Molecular Weight 142.242 g/mol
SMILES C(C(=O)C(C)C)C(C)(C)C
SPLASH splash10-0a4i-9000000000-d5ef0bad6040502f518f
Source of Spectrum K-113-3755-67
Wiley ID 1792639