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3-(4'-Benzoylamino-4'-carboxamido-3'-buten-1'-ynyl) coumarin
SpectraBase Compound ID 7qCwd6S5Ni5
InChI InChI=1S/C21H14N2O4/c22-19(24)17(23-20(25)14-7-2-1-3-8-14)11-6-10-16-13-15-9-4-5-12-18(15)27-21(16)26/h1-5,7-9,11-13H,(H2,22,24)(H,23,25)/b17-11+
InChIKey WEMDOIGRGAXXCJ-GZTJUZNOSA-N
Mol Weight 358.35 g/mol
Molecular Formula C21H14N2O4
Exact Mass 358.095357 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 76AQKKU6L9y
Name 3-(4'-Benzoylamino-4'-carboxamido-3'-buten-1'-ynyl) coumarin
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Formula C21H14N2O4
InChI InChI=1S/C21H14N2O4/c22-19(24)17(23-20(25)14-7-2-1-3-8-14)11-6-10-16-13-15-9-4-5-12-18(15)27-21(16)26/h1-5,7-9,11-13H,(H2,22,24)(H,23,25)/b17-11+
InChIKey WEMDOIGRGAXXCJ-GZTJUZNOSA-N
Literature Reference DOI 10.1002/cjoc.19980160608
Molecular Weight 358.353 g/mol
SMILES N(\C(C(=O)N)=C\C#CC1=Cc2ccccc2OC1=O)C(c1ccccc1)=O
SPLASH splash10-0a4r-0579000000-f947aa53f962da236c5a
Source of Spectrum CJC-16-535-5
Synonyms (E)-N-(1-amino-1-oxo-5-(2-oxo-2H-chromen-3-yl)pent-2-en-4-yn-2-yl)benzamide
Wiley ID 1773379