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6-Methylflavanone, 4-(p-methoxyphenyl)-3-thiosemicarbazone

View entire compound with spectra: 2 NMR, and 1 FTIR

6-Methylflavanone, 4-(p-methoxyphenyl)-3-thiosemicarbazone
SpectraBase Compound ID ARsA35NwWrH
InChI InChI=1S/C24H23N3O2S/c1-16-8-13-22-20(14-16)21(15-23(29-22)17-6-4-3-5-7-17)26-27-24(30)25-18-9-11-19(28-2)12-10-18/h3-14,23H,15H2,1-2H3,(H2,25,27,30)/b26-21+
InChIKey CFMGLYVSGHEDPX-YYADALCUSA-N
Mol Weight 417.53 g/mol
Molecular Formula C24H23N3O2S
Exact Mass 417.151098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fxvv8zkU8sF
Name 6-Methylflavanone, 4-(p-methoxyphenyl)-3-thiosemicarbazone
Comments Computed using HOSE algorithm
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Exact Mass 417.151098165 u
Formula C24H23N3O2S
InChI InChI=1S/C24H23N3O2S/c1-16-8-13-22-20(14-16)21(15-23(29-22)17-6-4-3-5-7-17)26-27-24(30)25-18-9-11-19(28-2)12-10-18/h3-14,23H,15H2,1-2H3,(H2,25,27,30)/b26-21+
InChIKey CFMGLYVSGHEDPX-YYADALCUSA-N
Molecular Weight 417.527 g/mol
SMILES N(\N=C/1CC(OC=2C=CC(=CC12)C)C=1C=CC=CC1)C(NC=1C=CC(=CC1)OC)=S