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QNDGAROPZNKYNK-UHFFFAOYSA-N
SpectraBase Compound ID 5a5fqR9enZf
InChI InChI=1S/C8H2Cl2N2O2/c9-5-6(10)8(14)4(2-12)3(1-11)7(5)13/h13-14H
InChIKey QNDGAROPZNKYNK-UHFFFAOYSA-N
Mol Weight 229.02 g/mol
Molecular Formula C8H2Cl2N2O2
Exact Mass 227.949333 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IizvAZ3rtRj
Name 4,5-Bis(chloranyl)-3,6-bis(oxidanyl)benzene-1,2-dicarbonitrile
Alternate Name(s) 4,5-Dichloro-3,6-dihydroxybenzene-1,2-dicarbonitrile 4,5-Dichloro-3,6-dihydroxyphthalonitrile
CAS Registry Number 4640-41-9
Comments Less than 3 mono-isotopic peaks
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Formula C8H2Cl2N2O2
InChI InChI=1S/C8H2Cl2N2O2/c9-5-6(10)8(14)4(2-12)3(1-11)7(5)13/h13-14H
InChIKey QNDGAROPZNKYNK-UHFFFAOYSA-N
Molecular Weight 229.022 g/mol
SMILES Oc1c(c(c(c(c1C#N)C#N)O)Cl)Cl
SPLASH splash10-0fc0-0090000000-152ec722ee2acc3381d8
Source of Spectrum KC-1978-507-0
Wiley ID 1229034