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4,5-bis(chloranyl)-3-[(5,6-dimethoxy-2-methyl-3-oxidanylidene-1H-inden-2-yl)oxy]-6-oxidanyl-benzene-1,2-dicarbonitrile
SpectraBase Compound ID I8T82oknQYP
InChI InChI=1S/C20H14Cl2N2O5/c1-20(6-9-4-13(27-2)14(28-3)5-10(9)19(20)26)29-18-12(8-24)11(7-23)17(25)15(21)16(18)22/h4-5,25H,6H2,1-3H3
InChIKey SNVXJQMQTMZGSA-UHFFFAOYSA-N
Mol Weight 433.25 g/mol
Molecular Formula C20H14Cl2N2O5
Exact Mass 432.027977 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4NU8nWbY7E
Name 4,5-bis(chloranyl)-3-[(5,6-dimethoxy-2-methyl-3-oxidanylidene-1H-inden-2-yl)oxy]-6-oxidanyl-benzene-1,2-dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H14Cl2N2O5
InChI InChI=1S/C20H14Cl2N2O5/c1-20(6-9-4-13(27-2)14(28-3)5-10(9)19(20)26)29-18-12(8-24)11(7-23)17(25)15(21)16(18)22/h4-5,25H,6H2,1-3H3
InChIKey SNVXJQMQTMZGSA-UHFFFAOYSA-N
Molecular Weight 433.247 g/mol
SMILES Oc1c(c(c(c(c1C#N)C#N)OC1(C(c2cc(OC)c(cc2C1)OC)=O)C)Cl)Cl
SPLASH splash10-0zi0-0590000000-84d6289280526263b3c9
Source of Spectrum K1-2004-2392-22
Synonyms 4,5-Dichloro-3-(5,6-dimethoxy-2-methyl-1-oxo-indan-2-yl)oxy-6-hydroxy-phthalonitrile 4,5-Dichloro-3-hydroxy-6-(1-keto-5,6-dimethoxy-2-methyl-indan-2-yl)oxy-phthalonitrile 4,5-Dichloro-3-[(5,6-dimethoxy-2-methyl-3-oxo-1H-inden-2-yl)oxy]-6-hydroxybenzene-1,2-dicarbonitrile
Wiley ID 1561018