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Hexanedioic acid, 2,5-dicyano-3,4-di-4-pyridinyl-, diethyl ester
SpectraBase Compound ID FYjTzS9U8tN
InChI InChI=1S/C22H22N4O4/c1-3-29-21(27)17(13-23)19(15-5-9-25-10-6-15)20(16-7-11-26-12-8-16)18(14-24)22(28)30-4-2/h5-12,17-20H,3-4H2,1-2H3
InChIKey CQUUUIYHPOEFTD-UHFFFAOYSA-N
Mol Weight 406.44 g/mol
Molecular Formula C22H22N4O4
Exact Mass 406.164105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Er8fFvwfbyA
Name Hexanedioic acid, 2,5-dicyano-3,4-di-4-pyridinyl-, diethyl ester
CAS Registry Number 63080-72-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N4O4
InChI InChI=1S/C22H22N4O4/c1-3-29-21(27)17(13-23)19(15-5-9-25-10-6-15)20(16-7-11-26-12-8-16)18(14-24)22(28)30-4-2/h5-12,17-20H,3-4H2,1-2H3
InChIKey CQUUUIYHPOEFTD-UHFFFAOYSA-N
Molecular Weight 406.442 g/mol
SMILES C(C(C(C(C(=O)OCC)C#N)c1ccncc1)c1ccncc1)(C(=O)OCC)C#N
SPLASH splash10-001l-0972000000-4feb5489466baff4cc3c
Source of Spectrum H-60-627-0
Synonyms 1,4-Di(ethoxycarbonyl)-1,4-di(cyano)-2,3-di(4-pyridyl)butane Diethyl 2,5-dicyano-3,4-di(4-pyridinyl)hexanedioate
Wiley ID 1372117