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Benzoic acid, 4-[[(2-amino-1,2-dicyanoethenyl)imino]methyl]-
SpectraBase Compound ID 81ZY9pwnlWf
InChI InChI=1S/C12H8N4O2/c13-5-10(15)11(6-14)16-7-8-1-3-9(4-2-8)12(17)18/h1-4,7H,15H2,(H,17,18)/b11-10-,16-7+
InChIKey GKQHGOPJVRRPSP-OITKXYCYSA-N
Mol Weight 240.22 g/mol
Molecular Formula C12H8N4O2
Exact Mass 240.064726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1YiQfPUaMS
Name Benzoic acid, 4-[[(2-amino-1,2-dicyanoethenyl)imino]methyl]-
Alternate Name(s) 4-((E)-{[(E,Z)-2-amino-1,2-dicyanoethenyl]imino}methyl)benzoic acid N-(4-carboxybenzylidene)-diaminodicyanoethene
CAS Registry Number 74900-56-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8N4O2
InChI InChI=1S/C12H8N4O2/c13-5-10(15)11(6-14)16-7-8-1-3-9(4-2-8)12(17)18/h1-4,7H,15H2,(H,17,18)/b11-10-,16-7+
InChIKey GKQHGOPJVRRPSP-OITKXYCYSA-N
Molecular Weight 240.222 g/mol
SMILES N\C(=C\(\N=C\c1ccc(C(=O)O)cc1)C#N)C#N
SPLASH splash10-014l-0980000000-9e61c11a987d1299a047
Source of Spectrum O-15-95-1
Wiley ID 1242603