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1,4-Cyclohexadiene-1-carbonitrile, 4,5-dichloro-2-(1H-indol-3-yl)-3,6-dioxo-
SpectraBase Compound ID 1c8Na7wMCbh
InChI InChI=1S/C15H6Cl2N2O2/c16-12-13(17)15(21)11(8(5-18)14(12)20)9-6-19-10-4-2-1-3-7(9)10/h1-4,6,19H
InChIKey PPLXZJYXEGDEAO-UHFFFAOYSA-N
Mol Weight 317.13 g/mol
Molecular Formula C15H6Cl2N2O2
Exact Mass 315.980633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID fTTgPWKAOG
Name 1,4-Cyclohexadiene-1-carbonitrile, 4,5-dichloro-2-(1H-indol-3-yl)-3,6-dioxo-
Alternate Name(s) 4,5-Dichloro-2-(1H-indol-3-yl)-3,6-dioxo-1,4-cyclohexadiene-1-carbonitrile 5,6-Dichloro-3-cyano-2-(3-indolyl)-1,4-benzoquinone
CAS Registry Number 61995-40-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H6Cl2N2O2
InChI InChI=1S/C15H6Cl2N2O2/c16-12-13(17)15(21)11(8(5-18)14(12)20)9-6-19-10-4-2-1-3-7(9)10/h1-4,6,19H
InChIKey PPLXZJYXEGDEAO-UHFFFAOYSA-N
Molecular Weight 317.131 g/mol
SMILES [nH]1c2c(c(c1)C1=C(C(=O)C(=C(C1=O)Cl)Cl)C#N)cccc2
SPLASH splash10-014i-1229000000-6315e07ebff5f31df140
Source of Spectrum SB-30-858-0
Wiley ID 1316494