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3,6-Dimethyloxecane-2,7-dione
SpectraBase Compound ID KLVBWQNtKf9
InChI InChI=1S/C11H18O3/c1-8-5-6-9(2)11(13)14-7-3-4-10(8)12/h8-9H,3-7H2,1-2H3
InChIKey CNHOWDUFDFLIEF-UHFFFAOYSA-N
Mol Weight 198.26 g/mol
Molecular Formula C11H18O3
Exact Mass 198.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IXKEeludsFG
Name 3,6-Dimethyloxecane-2,7-dione
Alternate Name(s) 3,6-Dimethyloxecane-2,7-quinone
CAS Registry Number 13030-98-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O3
InChI InChI=1S/C11H18O3/c1-8-5-6-9(2)11(13)14-7-3-4-10(8)12/h8-9H,3-7H2,1-2H3
InChIKey CNHOWDUFDFLIEF-UHFFFAOYSA-N
Molecular Weight 198.262 g/mol
SMILES C1(OCCCC(C(CCC1C)C)=O)=O
SPLASH splash10-01pk-9400000000-5322df39ce485c0a36d5
Source of Spectrum Y-12-103-0
Wiley ID 1195492