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Benzoic acid, 2-[[(2-amino-1,2-dicyanoethenyl)imino]methyl]-
SpectraBase Compound ID 5T92v011Njy
InChI InChI=1S/C12H8N4O2/c13-5-10(15)11(6-14)16-7-8-3-1-2-4-9(8)12(17)18/h1-4,7H,15H2,(H,17,18)/b11-10-,16-7+
InChIKey QRQMJFYGNKOZGS-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 804yCfxhBhp
Name Benzoic acid, 2-[[(2-amino-1,2-dicyanoethenyl)imino]methyl]-
Alternate Name(s) 2-((E)-((Z)-2-amino-1,2-dicyanovinylimino)methyl)benzoic acid 2-((E)-{[(E,Z)-2-amino-1,2-dicyanoethenyl]imino}methyl)benzoic acid N-(2-carboxybenzylidene)-diaminodicyanoethene
CAS Registry Number 71267-38-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8N4O2
InChI InChI=1S/C12H8N4O2/c13-5-10(15)11(6-14)16-7-8-3-1-2-4-9(8)12(17)18/h1-4,7H,15H2,(H,17,18)/b11-10-,16-7+
InChIKey QRQMJFYGNKOZGS-OITKXYCYSA-N
Molecular Weight 240.222 g/mol
SMILES N\C(=C\(\N=C\c1c(C(=O)O)cccc1)C#N)C#N
SPLASH splash10-001i-0910000000-9f07e20191760fea1f69
Source of Spectrum O-15-95-1
Wiley ID 1242602