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Benzeneacetonitrile, 4-nitro-.alpha.-(4,5,6,7-tetrachloro-3-oxo-1(3H)-isobenzofuranylidene)-
SpectraBase Compound ID 8JFsiv8AGSK
InChI InChI=1S/C16H4Cl4N2O4/c17-11-9-10(12(18)14(20)13(11)19)16(23)26-15(9)8(5-21)6-1-3-7(4-2-6)22(24)25/h1-4H/b15-8-
InChIKey IMBCWKJUHLAMOT-NVNXTCNLSA-N
Mol Weight 430.0 g/mol
Molecular Formula C16H4Cl4N2O4
Exact Mass 427.892517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8K8Jb9IlS1J
Name Benzeneacetonitrile, 4-nitro-.alpha.-(4,5,6,7-tetrachloro-3-oxo-1(3H)-isobenzofuranylidene)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H4Cl4N2O4
InChI InChI=1S/C16H4Cl4N2O4/c17-11-9-10(12(18)14(20)13(11)19)16(23)26-15(9)8(5-21)6-1-3-7(4-2-6)22(24)25/h1-4H/b15-8-
InChIKey IMBCWKJUHLAMOT-NVNXTCNLSA-N
Molecular Weight 430.030 g/mol
SMILES c1(Cl)c(Cl)c(Cl)c2\C(OC(=O)c2c1Cl)=C/(C#N)c1ccc(cc1)[N+]([O-])=O
SPLASH splash10-003r-7355900000-c37d2bed9953adfe3f1e
Source of Spectrum JX-2015-4-380
Synonyms 2-(4-nitrophenyl)-2-(4,5,6,7-tetrachloro-3-oxoisobenzofuran-1(3H)-ylidene)acetonitrile 2-(4-nitrophenyl)-2-(4,5,6,7-tetrachloro-3-oxo-1-isobenzofuranylidene)acetonitrile 2-(4-nitrophenyl)-2-(4,5,6,7-tetrachloro-3-oxo-2-benzofuran-1-ylidene)acetonitrile 2-(4-nitrophenyl)-2-(4,5,6,7-tetrachloro-3-oxo-isobenzofuran-1-ylidene)acetonitrile 2-(4-nitrophenyl)-2-[4,5,6,7-tetrakis(chloranyl)-3-oxidanylidene-2-benzofuran-1-ylidene]ethanenitrile
Wiley ID 1725822