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1,3-Cyclopentanedione, 2-(2,4,6-cycloheptatrien-1-yl)-
SpectraBase Compound ID G7jVNOecePw
InChI InChI=1S/C12H12O2/c13-10-7-8-11(14)12(10)9-5-3-1-2-4-6-9/h1-6,9,12H,7-8H2
InChIKey PBVLSMOYKPDGTI-UHFFFAOYSA-N
Mol Weight 188.23 g/mol
Molecular Formula C12H12O2
Exact Mass 188.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5FjObckvDnb
Name 1,3-Cyclopentanedione, 2-(2,4,6-cycloheptatrien-1-yl)-
Alternate Name(s) 2-(2,4,6-cycloheptatrien-1-yl)-1,3-cyclopentanedione 2-(cyclohepta-2,4,6-trien-1-yl)cyclopentan-1,3-dion
CAS Registry Number 132365-24-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O2
InChI InChI=1S/C12H12O2/c13-10-7-8-11(14)12(10)9-5-3-1-2-4-6-9/h1-6,9,12H,7-8H2
InChIKey PBVLSMOYKPDGTI-UHFFFAOYSA-N
Molecular Weight 188.226 g/mol
SMILES C1(C(CCC1=O)=O)C1C=CC=CC=C1
SPLASH splash10-002o-5900000000-32df3bdd61c9955fc67e
Source of Spectrum H-73-1697-8
Wiley ID 1184916