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trans-2-[3-(4-tert-butylphenyl)-2-methyl-2-propenylidene]malononitrile
A dinitrile that is tert-butylbenzene in which the hydrogen at the para- position is substituted by a 4,4-dicyano-2-methylbuta-1,3-dien-1-yl group (the trans isomer). It is used as a matrix in matrix-assisted laser desorption/ionization (MALDI) mass spectrometry.


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05. Industrial Uses: MALDI matrix material [CHEBI:64345] > trans-2-[3-(4-tert-butylphenyl)-2-methyl-2-propenylidene]malononitrile [CHEBI:64343]
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05. Industrial Uses 
05. Industrial Uses
 MALDI matrix material [CHEBI:64345] (9) 
 trans-2-[3-(4-tert-butylphenyl)-2-methyl-2-propenylidene]malononitrile [CHEBI:64343] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 pnictogen molecular entity [CHEBI:33302] (10027) 
 nitrogen molecular entity [CHEBI:51143] (7930) 
 organonitrogen compound [CHEBI:35352] (6705) 
 cyanides [CHEBI:23424] (120) 
 nitrile [CHEBI:18379] (117) 
 dinitrile [CHEBI:51308] (10) 
 trans-2-[3-(4-tert-butylphenyl)-2-methyl-2-propenylidene]malononitrile [CHEBI:64343] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 heteroorganic entity [CHEBI:33285] (15197) 
 organonitrogen compound [CHEBI:35352] (6705) 
 cyanides [CHEBI:23424] (120) 
 nitrile [CHEBI:18379] (117) 
 dinitrile [CHEBI:51308] (10) 
 trans-2-[3-(4-tert-butylphenyl)-2-methyl-2-propenylidene]malononitrile [CHEBI:64343] (1)
ChEBI Compound Accession Identifier  [CHEBI:64343]
ChEBI Compound Description  A dinitrile that is tert-butylbenzene in which the hydrogen at the para- position is substituted by a 4,4-dicyano-2-methylbuta-1,3-dien-1-yl group (the trans isomer). It is used as a matrix in matrix-assisted laser desorption/ionization (MALDI) mass spectrometry.
ChEBI Compound Identification Number  64343
ChEBI InChI Value  InChI=1S/C17H18N2/c1-13(10-15(11-18)12-19)9-14-5-7-16(8-6-14)17(2,3)4/h5-10H,1-4H3/b13-9+
ChEBI InChIKey Value  OIASAVWSBWJWBR-UKTHLTGXSA-N
ChEBI Compound Name  trans-2-[3-(4-tert-butylphenyl)-2-methyl-2-propenylidene]malononitrile
ChEBI SMILES Value  C\C(C=C(C#N)C#N)=C/c1ccc(cc1)C(C)(C)C
ChEBI Substance ID  135668286
ChEBI URL  ChEBI:64343
ChemSpider ID  4904003
Ontomatica Chemical Accession Key (OnChAKey)  OIASAVWSBWJWBR_UKTHLTGXSA_N_000_000000
PubChem Compound ID  6382826