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1,3-Cyclopentanedione

View entire compound with spectra: 2 NMR, 4 FTIR, 1 Raman, and 7 MS (GC)

1,3-Cyclopentanedione
SpectraBase Compound ID D72rJhUdHoV
InChI InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2
InChIKey LOGSONSNCYTHPS-UHFFFAOYSA-N
Mol Weight 98.1 g/mol
Molecular Formula C5H6O2
Exact Mass 98.036779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3vATbnqAdUa
Name 1,3-Cyclopentanedione
Alternate Name(s) 1,3-Cyclopentadione Cyclopentan-1,3-dione Cyclopentane-1,3-dione cyclopentane-1,3-quinone EINECS 223-372-8
CAS Registry Number 3859-41-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H6O2
InChI InChI=1S/C5H6O2/c6-4-1-2-5(7)3-4/h1-3H2
InChIKey LOGSONSNCYTHPS-UHFFFAOYSA-N
Molecular Weight 98.101 g/mol
SMILES C1CC(CC1=O)=O
SPLASH splash10-0007-9000000000-a70fab84a086671bd747
Wiley ID 1472534