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1,4-Cyclohexadiene-1,4-dicarboxylic acid, 2,5-diamino-3,6-bis(dicyanomethylene)-, diethyl ester
SpectraBase Compound ID AuzrHtkCWyT
InChI InChI=1S/C18H14N6O4/c1-3-27-17(25)13-11(9(5-19)6-20)16(24)14(18(26)28-4-2)12(15(13)23)10(7-21)8-22/h3-4,23-24H2,1-2H3
InChIKey SCYKAZHZLWQBFM-UHFFFAOYSA-N
Mol Weight 378.35 g/mol
Molecular Formula C18H14N6O4
Exact Mass 378.107653 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DoiKyHHeP4W
Name 1,4-Cyclohexadiene-1,4-dicarboxylic acid, 2,5-diamino-3,6-bis(dicyanomethylene)-, diethyl ester
Alternate Name(s) Diethyl 2,5-diamino-3,6-bis(dicyanomethylene)-1,4-cyclohexadiene-1,4-dicarboxylate Diethyl-2,5-diamino-3,6-bis(dicyanomethylidene)-cyclohexa-1,4-diene-1,4-dicarboxylate
CAS Registry Number 132333-62-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14N6O4
InChI InChI=1S/C18H14N6O4/c1-3-27-17(25)13-11(9(5-19)6-20)16(24)14(18(26)28-4-2)12(15(13)23)10(7-21)8-22/h3-4,23-24H2,1-2H3
InChIKey SCYKAZHZLWQBFM-UHFFFAOYSA-N
Molecular Weight 378.348 g/mol
SMILES NC1=C(C(C(=C(C1=C(C#N)C#N)C(=O)OCC)N)=C(C#N)C#N)C(=O)OCC
SPLASH splash10-001i-0069000000-0b1b8470b690774ff534
Source of Spectrum H-73-1952-7
Wiley ID 1358587