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1H-Indole, 3-[1-(4-methoxyphenyl)ethenyl]-2-methyl-1-(phenylsulfonyl)-
SpectraBase Compound ID I5TWQT4RUAy
InChI InChI=1S/C24H21NO3S/c1-17(19-13-15-20(28-3)16-14-19)24-18(2)25(23-12-8-7-11-22(23)24)29(26,27)21-9-5-4-6-10-21/h4-16H,1H2,2-3H3
InChIKey WPGFAANPQCKTMR-UHFFFAOYSA-N
Mol Weight 403.5 g/mol
Molecular Formula C24H21NO3S
Exact Mass 403.124215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G0Hpf5rvfTU
Name 1H-Indole, 3-[1-(4-methoxyphenyl)ethenyl]-2-methyl-1-(phenylsulfonyl)-
Comments Computed using HOSE algorithm
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Exact Mass 403.124214711 u
Formula C24H21NO3S
InChI InChI=1S/C24H21NO3S/c1-17(19-13-15-20(28-3)16-14-19)24-18(2)25(23-12-8-7-11-22(23)24)29(26,27)21-9-5-4-6-10-21/h4-16H,1H2,2-3H3
InChIKey WPGFAANPQCKTMR-UHFFFAOYSA-N
Molecular Weight 403.496 g/mol
SMILES C=1(S(N2C(=C(C(C3=CC=C(C=C3)OC)=C)C3=C2C=CC=C3)C)(=O)=O)C=CC=CC1