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Benzonitrile, 4-[[5-[(4-ethyl-1,5-dihydro-3-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-3,4-dimethyl-2H-pyrrol-2-ylidene]methyl]-, (Z,Z)-
SpectraBase Compound ID IypoZ89As9D
InChI InChI=1S/C22H21N3O/c1-5-18-15(4)21(25-22(18)26)11-20-14(3)13(2)19(24-20)10-16-6-8-17(12-23)9-7-16/h6-11H,5H2,1-4H3,(H,25,26)/b19-10-,21-11-
InChIKey PQBSMVZNKFIFEC-SKVCMNEASA-N
Mol Weight 343.43 g/mol
Molecular Formula C22H21N3O
Exact Mass 343.168462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Az1V2BjZUp
Name Benzonitrile, 4-[[5-[(4-ethyl-1,5-dihydro-3-methyl-5-oxo-2H-pyrrol-2-ylidene)methyl]-3,4-dimethyl-2H-pyrrol-2-ylidene]methyl]-, (Z,Z)-
CAS Registry Number 110087-80-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21N3O
InChI InChI=1S/C22H21N3O/c1-5-18-15(4)21(25-22(18)26)11-20-14(3)13(2)19(24-20)10-16-6-8-17(12-23)9-7-16/h6-11H,5H2,1-4H3,(H,25,26)/b19-10-,21-11-
InChIKey PQBSMVZNKFIFEC-SKVCMNEASA-N
Molecular Weight 343.430 g/mol
SMILES N1C(C(=C(\C1=C/C1=N\C(=C/c2ccc(C#N)cc2)C(=C1C)C)C)CC)=O
SPLASH splash10-0a6r-9006000000-5e25e2e6dfab2685a8e7
Source of Spectrum AH-118-95-11
Synonyms (Z,Z)-4-Ethyl-3-methyl-5-(5-(4-cyanophenyl-2-methylen)-3,4-dimethyl-5H-pyrrolyl-2-methylene)-3-pyrrolin-2-on 4-((Z)-{5-[(Z)-(4-ethyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-3,4-dimethyl-2H-pyrrol-2-ylidene}methyl)benzonitrile
Wiley ID 1337431