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5-amino-4,6-dicyano-biphenyl-2-carboxylic acid ethyl ester
SpectraBase Compound ID 7yxnW9zsZTZ
InChI InChI=1S/C17H13N3O2/c1-2-22-17(21)13-8-12(9-18)16(20)14(10-19)15(13)11-6-4-3-5-7-11/h3-8H,2,20H2,1H3
InChIKey YKCPQNLHAANBOM-UHFFFAOYSA-N
Mol Weight 291.31 g/mol
Molecular Formula C17H13N3O2
Exact Mass 291.100777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 88CymMUIrAf
Name 5-amino-4,6-dicyano-biphenyl-2-carboxylic acid ethyl ester
Appearance Faint yellow crystals
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Formula C17H13N3O2
InChI InChI=1S/C17H13N3O2/c1-2-22-17(21)13-8-12(9-18)16(20)14(10-19)15(13)11-6-4-3-5-7-11/h3-8H,2,20H2,1H3
InChIKey YKCPQNLHAANBOM-UHFFFAOYSA-N
Instrument Name GC-MS DFS Thermo
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.11
Molecular Weight 291.310 g/mol
Reported Formula C17H13N3O2
SMILES Nc1c(c(c(cc1C#N)C(OCC)=O)-c1ccccc1)C#N
SPLASH splash10-0005-0390000000-c591659ed5ef946059a9
Source of Spectrum BJO-10-SM3-13a
Wiley ID 1853862