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Benzoic acid, 4-[(1-ethyl-4(1H)-quinolinylidene)methyl]-3-nitro-, ethyl ester
SpectraBase Compound ID EDWWrO7ISex
InChI InChI=1S/C21H20N2O4/c1-3-22-12-11-15(18-7-5-6-8-19(18)22)13-16-9-10-17(21(24)27-4-2)14-20(16)23(25)26/h5-14H,3-4H2,1-2H3/b15-13+
InChIKey XIGQZMNIQKZDMN-FYWRMAATSA-N
Mol Weight 364.4 g/mol
Molecular Formula C21H20N2O4
Exact Mass 364.142307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CBcvZ5KooEU
Name Benzoic acid, 4-[(1-ethyl-4(1H)-quinolinylidene)methyl]-3-nitro-, ethyl ester
Alternate Name(s) Ethyl 4-((1-ethylquinolin-4(1H)-ylidene)methyl)-3-nitrobenzoate 4-[(1-ethyl-4-quinolinylidene)methyl]-3-nitrobenzoic acid ethyl ester Ethyl 4-[(1-ethylquinolin-4-ylidene)methyl]-3-nitrobenzoate Ethyl 4-[(1-ethyl-4-quinolylidene)methyl]-3-nitro-benzoate Ethyl 4-[(1-ethylquinolin-4-ylidene)methyl]-3-nitro-benzoate
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Formula C21H20N2O4
InChI InChI=1S/C21H20N2O4/c1-3-22-12-11-15(18-7-5-6-8-19(18)22)13-16-9-10-17(21(24)27-4-2)14-20(16)23(25)26/h5-14H,3-4H2,1-2H3/b15-13+
InChIKey XIGQZMNIQKZDMN-FYWRMAATSA-N
Molecular Weight 364.401 g/mol
SMILES CCOC(=O)c1ccc(\C=C/2C=CN(CC)c3ccccc23)c(c1)[N+]([O-])=O
SPLASH splash10-000i-1921000000-c2ec06b4055affbcf44b
Source of Spectrum JX-2015-3-1380
Wiley ID 1724870