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3-(3-Indolyl)-4'-methyl-3-o-tolylpropiophenone
SpectraBase Compound ID 8Vx0V6WtE5V
InChI InChI=1S/C25H23NO/c1-17-11-13-19(14-12-17)25(27)15-22(20-8-4-3-7-18(20)2)23-16-26-24-10-6-5-9-21(23)24/h3-14,16,22,26H,15H2,1-2H3
InChIKey QCAFRHOKEVMTAX-UHFFFAOYSA-N
Mol Weight 353.47 g/mol
Molecular Formula C25H23NO
Exact Mass 353.177964 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BH5cirFt3DR
Name 3-(3-Indolyl)-4'-methyl-3-o-tolylpropiophenone
Comments Computed using HOSE algorithm
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Exact Mass 353.177964364 u
Formula C25H23NO
InChI InChI=1S/C25H23NO/c1-17-11-13-19(14-12-17)25(27)15-22(20-8-4-3-7-18(20)2)23-16-26-24-10-6-5-9-21(23)24/h3-14,16,22,26H,15H2,1-2H3
InChIKey QCAFRHOKEVMTAX-UHFFFAOYSA-N
Molecular Weight 353.465 g/mol
SMILES N1C2=C(C(=C1)C(CC(C=1C=CC(=CC1)C)=O)C=1C(=CC=CC1)C)C=CC=C2