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2-{1-[(1,3-Dihydro-2H-benzimidazol-2-ylidene)ammonio]-2-(4-methylphenyl)-2-oxoethyl}-3-oxocyclohex-1-enolate
SpectraBase Compound ID EQxqjD6UlDn
InChI InChI=1S/C22H21N3O3/c1-13-9-11-14(12-10-13)21(28)20(19-17(26)7-4-8-18(19)27)25-22-23-15-5-2-3-6-16(15)24-22/h2-3,5-6,9-12,20,26H,4,7-8H2,1H3,(H2,23,24,25)
InChIKey SFNIMOWJGZRYSE-UHFFFAOYSA-N
Mol Weight 375.43 g/mol
Molecular Formula C22H21N3O3
Exact Mass 375.158292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HYxSvQD2HvT
Name 2-{1-[(1,3-Dihydro-2H-benzimidazol-2-ylidene)ammonio]-2-(4-methylphenyl)-2-oxoethyl}-3-oxocyclohex-1-enolate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21N3O3
InChI InChI=1S/C22H21N3O3/c1-13-9-11-14(12-10-13)21(28)20(19-17(26)7-4-8-18(19)27)25-22-23-15-5-2-3-6-16(15)24-22/h2-3,5-6,9-12,20,26H,4,7-8H2,1H3,(H2,23,24,25)
InChIKey SFNIMOWJGZRYSE-UHFFFAOYSA-N
Literature Reference DOI 10.1007/s10593-015-1700-y
Molecular Weight 375.428 g/mol
SMILES N1C(Nc2ccccc12)=[NH+]C(C1=C([O-])CCCC1=O)C(c1ccc(cc1)C)=O
SPLASH splash10-00ku-8690000000-6e95e6c324ec45e2f51d
Source of Spectrum HC-51-316-6b
Synonyms 2-(1-((1,3-dihydro-2H-benzo[d]imidazol-2-ylidene)ammonio)-2-oxo-2-(p-tolyl)ethyl)-3-oxocyclohex-1-en-1-olate
Wiley ID 1806407