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1,3-Cyclopentanedione, 4-methyl-
SpectraBase Compound ID 1W7B6OwPkKr
InChI InChI=1S/C6H8O2/c1-4-2-5(7)3-6(4)8/h4H,2-3H2,1H3
InChIKey LRBRQJWOVMKKCT-UHFFFAOYSA-N
Mol Weight 112.13 g/mol
Molecular Formula C6H8O2
Exact Mass 112.052429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8KwG1QmkDYK
Name 1,3-Cyclopentanedione, 4-methyl-
CAS Registry Number 35029-03-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H8O2
InChI InChI=1S/C6H8O2/c1-4-2-5(7)3-6(4)8/h4H,2-3H2,1H3
InChIKey LRBRQJWOVMKKCT-UHFFFAOYSA-N
Molecular Weight 112.128 g/mol
SMILES C1(CC(C(C1)C)=O)=O
SPLASH splash10-0006-9000000000-1492240430378faa0aa9
Source of Spectrum O-5-1200-3
Synonyms 4-Methyl-1,3-cyclopentanedione 4-Methylcyclopentane-1,3-dione 4-Methylcyclopentane-1,3-quinone
Wiley ID 1123124