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[1,1'-Biphenyl]-4,4'-diacetic acid, .alpha.,.alpha.,.alpha.',.alpha.'-tetracyano-, dimethyl ester
SpectraBase Compound ID KlUVceH6tUI
InChI InChI=1S/C22H14N4O4/c1-29-19(27)21(11-23,12-24)17-7-3-15(4-8-17)16-5-9-18(10-6-16)22(13-25,14-26)20(28)30-2/h3-10H,1-2H3
InChIKey ZDAPGUFAECYWHX-UHFFFAOYSA-N
Mol Weight 398.38 g/mol
Molecular Formula C22H14N4O4
Exact Mass 398.101505 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4EnC4UVWn2C
Name [1,1'-Biphenyl]-4,4'-diacetic acid, .alpha.,.alpha.,.alpha.',.alpha.'-tetracyano-, dimethyl ester
CAS Registry Number 68271-96-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H14N4O4
InChI InChI=1S/C22H14N4O4/c1-29-19(27)21(11-23,12-24)17-7-3-15(4-8-17)16-5-9-18(10-6-16)22(13-25,14-26)20(28)30-2/h3-10H,1-2H3
InChIKey ZDAPGUFAECYWHX-UHFFFAOYSA-N
Molecular Weight 398.378 g/mol
SMILES C(C(=O)OC)(C#N)(C#N)c1ccc(-c2ccc(C(C(=O)OC)(C#N)C#N)cc2)cc1
SPLASH splash10-015c-0391000000-5b7caaff80eec3998a20
Source of Spectrum I-55-4192-0
Synonyms Dimethyl 4,4'-biphenyl-.alpha.,.alpha.,.alpha.',.alpha.'-Tetracyanodiacetate Methyl dicyano[4'-(1,1-dicyano-2-methoxy-2-oxoethyl)[1,1'-biphenyl]-4-yl]acetate
Wiley ID 1368383