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4-Cyclopentene-1,3-dione, 4,5-dimethyl-2-(3-methyl-1-oxobutyl)-
SpectraBase Compound ID Gn5CrTwdK0F
InChI InChI=1S/C12H16O3/c1-6(2)5-9(13)10-11(14)7(3)8(4)12(10)15/h6,10H,5H2,1-4H3
InChIKey FCVXRNBJCWRZTA-UHFFFAOYSA-N
Mol Weight 208.26 g/mol
Molecular Formula C12H16O3
Exact Mass 208.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CFCm6afa3xn
Name 4-Cyclopentene-1,3-dione, 4,5-dimethyl-2-(3-methyl-1-oxobutyl)-
Alternate Name(s) 2-Isobutyryl-4,5-dimethylcyclopent-4-ene-1,3-dione 4,5-Dimethyl-2-(3-methylbutanoyl)-4-cyclopentene-1,3-dione 4-Cyclopentene-1,3-dione, 2-isovaleryl-4,5-dimethyl- Calythron Calythrone 4,5-Dimethyl-2-(3-methyl-1-oxobutyl)cyclopent-4-ene-1,3-dione 4,5-Dimethyl-2-(3-methylbutanoyl)cyclopent-4-ene-1,3-dione
CAS Registry Number 480-52-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O3
InChI InChI=1S/C12H16O3/c1-6(2)5-9(13)10-11(14)7(3)8(4)12(10)15/h6,10H,5H2,1-4H3
InChIKey FCVXRNBJCWRZTA-UHFFFAOYSA-N
Molecular Weight 208.257 g/mol
SMILES C1(C(C(C)=C(C1=O)C)=O)C(CC(C)C)=O
SPLASH splash10-0udi-2910000000-6b3c9698586818adecff
Source of Spectrum KC-1981-1451-0
Wiley ID 1206751