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Ethyl 1-[(5-methoxy-2-methyl-1-phenyl-1H-indol-3-yl)carbonyl]-4-phenylpiperidine-4-carboxylate
SpectraBase Compound ID J7PUQe6ttMH
InChI InChI=1S/C31H32N2O4/c1-4-37-30(35)31(23-11-7-5-8-12-23)17-19-32(20-18-31)29(34)28-22(2)33(24-13-9-6-10-14-24)27-16-15-25(36-3)21-26(27)28/h5-16,21H,4,17-20H2,1-3H3
InChIKey JKIXFGDCZQALQH-UHFFFAOYSA-N
Mol Weight 496.6 g/mol
Molecular Formula C31H32N2O4
Exact Mass 496.236208 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ba3D5a6ao5F
Name Ethyl 1-[(5-methoxy-2-methyl-1-phenyl-1H-indol-3-yl)carbonyl]-4-phenylpiperidine-4-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 496.236207514 u
Formula C31H32N2O4
InChI InChI=1S/C31H32N2O4/c1-4-37-30(35)31(23-11-7-5-8-12-23)17-19-32(20-18-31)29(34)28-22(2)33(24-13-9-6-10-14-24)27-16-15-25(36-3)21-26(27)28/h5-16,21H,4,17-20H2,1-3H3
InChIKey JKIXFGDCZQALQH-UHFFFAOYSA-N
Molecular Weight 496.607 g/mol
SMILES C1(=C(N(C=2C=CC=CC2)C=2C1=CC(=CC2)OC)C)C(N1CCC(CC1)(C(=O)OCC)C=1C=CC=CC1)=O