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2-n-Propyl-5-methyl-5-(2-oxocyclopentyl)cyclopenten-1,4-dione isomer
SpectraBase Compound ID BqosH6WtHlE
InChI InChI=1S/C14H18O3/c1-3-5-9-8-12(16)14(2,13(9)17)10-6-4-7-11(10)15/h8,10H,3-7H2,1-2H3
InChIKey KQYPDHHXNASBBW-UHFFFAOYSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BFPpHodK8qD
Name 2-n-Propyl-5-methyl-5-(2-oxocyclopentyl)cyclopenten-1,4-dione isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-3-5-9-8-12(16)14(2,13(9)17)10-6-4-7-11(10)15/h8,10H,3-7H2,1-2H3
InChIKey KQYPDHHXNASBBW-UHFFFAOYSA-N
Molecular Weight 234.295 g/mol
SMILES C1(C(C=C(C1=O)CCC)=O)(C1C(=O)CCC1)C
SPLASH splash10-0060-0940000000-42616c8f71ee60e167ff
Source of Spectrum C-115-10686-72
Synonyms 2-n-Propyl-5-methyl-5-(2-oxocyclopentyl)cyclopenten-1,4-dione 2-Methyl-2-(2-oxocyclopentyl)-4-propyl-4-cyclopentene-1,3-dione
Wiley ID 1236177