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2,3-Diphenyl-4H-benzopyran-4-one - 7-o-N,N- dimethyl-thiocarbamate
SpectraBase Compound ID 4NKk6fpQM7m
InChI InChI=1S/C24H19NO3S/c1-25(2)24(29)27-18-13-14-19-20(15-18)28-23(17-11-7-4-8-12-17)21(22(19)26)16-9-5-3-6-10-16/h3-15H,1-2H3
InChIKey CVIRJOVSABCVDF-UHFFFAOYSA-N
Mol Weight 401.48 g/mol
Molecular Formula C24H19NO3S
Exact Mass 401.108565 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D79yvSEzWbI
Name 2,3-Diphenyl-4H-benzopyran-4-one - 7-o-N,N- dimethyl-thiocarbamate
Comments Computed using HOSE algorithm
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Exact Mass 401.108564647 u
Formula C24H19NO3S
InChI InChI=1S/C24H19NO3S/c1-25(2)24(29)27-18-13-14-19-20(15-18)28-23(17-11-7-4-8-12-17)21(22(19)26)16-9-5-3-6-10-16/h3-15H,1-2H3
InChIKey CVIRJOVSABCVDF-UHFFFAOYSA-N
Molecular Weight 401.480 g/mol
SMILES C1(=C(C(=O)C=2C(O1)=CC(OC(=S)N(C)C)=CC2)C=1C=CC=CC1)C1=CC=CC=C1