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5-(dimethylamino)-4-(3-nitrobenzoyl)-3-phenyl-thiophene-2-carbonitrile
SpectraBase Compound ID JEfcNd5F2Vx
InChI InChI=1S/C20H15N3O3S/c1-22(2)20-18(19(24)14-9-6-10-15(11-14)23(25)26)17(16(12-21)27-20)13-7-4-3-5-8-13/h3-11H,1-2H3
InChIKey LWHKZZYCBDTCSO-UHFFFAOYSA-N
Mol Weight 377.42 g/mol
Molecular Formula C20H15N3O3S
Exact Mass 377.083413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IBS0Zw2Vwme
Name 5-(dimethylamino)-4-(3-nitrobenzoyl)-3-phenyl-thiophene-2-carbonitrile
Alternate Name(s) 5-(dimethylamino)-4-(3-nitrophenyl)carbonyl-3-phenyl-thiophene-2-carbonitrile 5-(dimethylamino)-4-[(3-nitrophenyl)-oxomethyl]-3-phenyl-2-thiophenecarbonitrile
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Formula C20H15N3O3S
InChI InChI=1S/C20H15N3O3S/c1-22(2)20-18(19(24)14-9-6-10-15(11-14)23(25)26)17(16(12-21)27-20)13-7-4-3-5-8-13/h3-11H,1-2H3
InChIKey LWHKZZYCBDTCSO-UHFFFAOYSA-N
Molecular Weight 377.418 g/mol
SMILES c1(c(sc(c1-c1ccccc1)C#N)N(C)C)C(c1cc(N(=O)=O)ccc1)=O
SPLASH splash10-03fr-0009000000-d9eb315a2483e272eb86
Source of Spectrum U1-1998-2233-7
Wiley ID 751845