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1,3-Cyclopentanedione, 2-isovaleryl-4-methyl-
SpectraBase Compound ID Bd4Ph9ZYLPm
InChI InChI=1S/C11H16O3/c1-6(2)4-8(12)10-9(13)5-7(3)11(10)14/h6-7,10H,4-5H2,1-3H3
InChIKey ABPCNWYSBJHRKS-UHFFFAOYSA-N
Mol Weight 196.25 g/mol
Molecular Formula C11H16O3
Exact Mass 196.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1mKykt3RKa
Name 1,3-Cyclopentanedione, 2-isovaleryl-4-methyl-
CAS Registry Number 7180-57-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O3
InChI InChI=1S/C11H16O3/c1-6(2)4-8(12)10-9(13)5-7(3)11(10)14/h6-7,10H,4-5H2,1-3H3
InChIKey ABPCNWYSBJHRKS-UHFFFAOYSA-N
Molecular Weight 196.246 g/mol
SMILES C(C(=O)C1C(=O)CC(C1=O)C)C(C)C
SPLASH splash10-000i-5900000000-6a09f26cfc0892ecf193
Source of Spectrum O-6-689-8
Synonyms 4-Methyl-2-(3-methylbutanoyl)-1,3-cyclopentanedione 2-isovaleryl-4-methyl-cyclopentane-1,3-quinone 4-Methyl-2-(3-methyl-1-oxobutyl)cyclopentane-1,3-dione 4-Methyl-2-(3-methylbutanoyl)cyclopentane-1,3-dione
Wiley ID 22335