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2-Methyl-2-(3-oxopentyl)cyclohexane-1,3-dione
SpectraBase Compound ID DuIKZWBSA5v
InChI InChI=1S/C12H18O3/c1-3-9(13)7-8-12(2)10(14)5-4-6-11(12)15/h3-8H2,1-2H3
InChIKey ZARBRIHTWIAEBW-UHFFFAOYSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6vzl2kjIDTl
Name 2-Methyl-2-(3-oxopentyl)cyclohexane-1,3-dione
Appearance Pale-yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.125594437 u
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-3-9(13)7-8-12(2)10(14)5-4-6-11(12)15/h3-8H2,1-2H3
InChIKey ZARBRIHTWIAEBW-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.201605751
Molecular Weight 210.273 g/mol
Quality 185
SMILES C1CCC(C(C1=O)(CCC(CC)=O)C)=O
SPLASH splash10-0a4i-9200000000-e503c2bbdf3eb8c9ae56
Source of Spectrum QE-23-SM3-8 (DOI: 10.1002/chem.201605751)
Wiley ID 1903678