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4-Amino-2-oxo-N-phenyl-2H-coumarin-3-carbothioamide
SpectraBase Compound ID 4gEH1pm1VYv
InChI InChI=1S/C16H12N2O2S/c17-14-11-8-4-5-9-12(11)20-16(19)13(14)15(21)18-10-6-2-1-3-7-10/h1-9H,17H2,(H,18,21)
InChIKey GQCYDPCLRLISQS-UHFFFAOYSA-N
Mol Weight 296.34 g/mol
Molecular Formula C16H12N2O2S
Exact Mass 296.061949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 103tPzt31L6
Name 4-Amino-2-oxo-N-phenyl-2H-coumarin-3-carbothioamide
Appearance Yellow crystals
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Formula C16H12N2O2S
InChI InChI=1S/C16H12N2O2S/c17-14-11-8-4-5-9-12(11)20-16(19)13(14)15(21)18-10-6-2-1-3-7-10/h1-9H,17H2,(H,18,21)
InChIKey GQCYDPCLRLISQS-UHFFFAOYSA-N
Instrument Name Kratos & Varian MAT 311 A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2367
Molecular Weight 296.344 g/mol
SMILES N(C(C1=C(c2ccccc2OC1=O)N)=S)c1ccccc1
SPLASH splash10-004i-9210000000-44f7656eba87949c3c3c
Source of Spectrum Y-53-1322-9
Thin-Layer Chromatography Rf = 0.73 (pet.ether(40-60)/ethyl acetate, 4:1)
Wiley ID 1876501