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3-Thiophenecarbonitrile, 4-amino-5-(4-chlorobenzoyl)-2-(methylamino)-
SpectraBase Compound ID JQvZqH0dUrG
InChI InChI=1S/C13H10ClN3OS/c1-17-13-9(6-15)10(16)12(19-13)11(18)7-2-4-8(14)5-3-7/h2-5,17H,16H2,1H3
InChIKey KCKWEDDRJAGEOD-UHFFFAOYSA-N
Mol Weight 291.76 g/mol
Molecular Formula C13H10ClN3OS
Exact Mass 291.023311 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHPEYjRcZQP
Name 3-Thiophenecarbonitrile, 4-amino-5-(4-chlorobenzoyl)-2-(methylamino)-
Alternate Name(s) 4-Amino-5-[(4-chlorophenyl)-oxomethyl]-2-(methylamino)-3-thiophenecarbonitrile 4-Azanyl-5-(4-chlorophenyl)carbonyl-2-(methylamino)thiophene-3-carbonitrile
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Formula C13H10ClN3OS
InChI InChI=1S/C13H10ClN3OS/c1-17-13-9(6-15)10(16)12(19-13)11(18)7-2-4-8(14)5-3-7/h2-5,17H,16H2,1H3
InChIKey KCKWEDDRJAGEOD-UHFFFAOYSA-N
Molecular Weight 291.756 g/mol
SMILES Nc1c(c(sc1C(=O)c1ccc(cc1)Cl)NC)C#N
SPLASH splash10-0006-3490000000-9fca89897c07de46cb3a
Source of Spectrum IY-1-4451-7
Wiley ID 1652500