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6,6-Dimethyl-5-propyloctan-2-one
SpectraBase Compound ID GGrZnMJ22Dl
InChI InChI=1S/C13H26O/c1-6-8-12(10-9-11(3)14)13(4,5)7-2/h12H,6-10H2,1-5H3
InChIKey XJIDOCGBYTWPHG-UHFFFAOYSA-N
Mol Weight 198.35 g/mol
Molecular Formula C13H26O
Exact Mass 198.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2viLFpUDdzA
Name 6,6-Dimethyl-5-propyloctan-2-one
Appearance Pale yellow liquid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H26O
InChI InChI=1S/C13H26O/c1-6-8-12(10-9-11(3)14)13(4,5)7-2/h12H,6-10H2,1-5H3
InChIKey XJIDOCGBYTWPHG-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 198.350 g/mol
SMILES CC(=O)CCC(CCC)C(CC)(C)C
SPLASH splash10-0abc-9100000000-f434ca088e8b2f6117a7
Source of Spectrum WO2013170976A1
Thin-Layer Chromatography Rf = 0.26 (65g silica gel, pentane/ether, 50:1)
Wiley ID 1849547