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2,5-Cyclohexadiene-1,4-dione, compd. with 2-chloro-1,4-benzenediol (1:1)
SpectraBase Compound ID GNUBbg6KYlN
InChI InChI=1S/C6H5ClO2.C6H4O2/c7-5-3-4(8)1-2-6(5)9;7-5-1-2-6(8)4-3-5/h1-3,8-9H;1-4H
InChIKey IKCFVLKKVXOPMY-UHFFFAOYSA-N
Mol Weight 252.65 g/mol
Molecular Formula C12H9ClO4
Exact Mass 252.018936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGJCNaQYK0H
Name 2,5-Cyclohexadiene-1,4-dione, compd. with 2-chloro-1,4-benzenediol (1:1)
Alternate Name(s) benzo-1,4-quinone compound with 2-chloro-1,4-benzenediol (1:1) p-Benzoquinone:chloro-1,4-dihydroxybenzene
CAS Registry Number 55836-32-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9ClO4
InChI InChI=1S/C6H5ClO2.C6H4O2/c7-5-3-4(8)1-2-6(5)9;7-5-1-2-6(8)4-3-5/h1-3,8-9H;1-4H
InChIKey IKCFVLKKVXOPMY-UHFFFAOYSA-N
Molecular Weight 252.653 g/mol
SMILES C1=CC(=O)C=CC1=O.Oc1cc(c(cc1)O)Cl
SPLASH splash10-0udi-9200000000-50b1b2f8bc6d94677fe2
Source of Spectrum O-5-1283-6
Wiley ID 1255142