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1-(3,4-Dimethyl-2-oxo-2H-1-benzopyran-7-yloxy)acetyl-4- phenylthiosemicarbazide
SpectraBase Compound ID I0eLxcDylWb
InChI InChI=1S/C20H19N3O4S/c1-12-13(2)19(25)27-17-10-15(8-9-16(12)17)26-11-18(24)22-23-20(28)21-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,22,24)(H2,21,23,28)
InChIKey DFNWICKLSIEGPP-UHFFFAOYSA-N
Mol Weight 397.45 g/mol
Molecular Formula C20H19N3O4S
Exact Mass 397.109627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2IP5kWvE47d
Name 1-(3,4-Dimethyl-2-oxo-2H-1-benzopyran-7-yloxy)acetyl-4- phenylthiosemicarbazide
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Formula C20H19N3O4S
InChI InChI=1S/C20H19N3O4S/c1-12-13(2)19(25)27-17-10-15(8-9-16(12)17)26-11-18(24)22-23-20(28)21-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,22,24)(H2,21,23,28)
InChIKey DFNWICKLSIEGPP-UHFFFAOYSA-N
Molecular Weight 397.449 g/mol
SMILES N(NC(=S)Nc1ccccc1)C(=O)COc1cc2c(C(=C(C(O2)=O)C)C)cc1
SPLASH splash10-0a4i-3987000000-62b4cf6088956b597f93
Source of Spectrum Sohair L. El-Ansary, et al. Bioorganic Chemistry, V. 53, 2014, p. 50-66
Synonyms 2-(2-((3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy)acetyl)-N-phenylhydrazine-1-carbothioamide
Wiley ID 1817607