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Ethyl 1-[(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)carbonyl]-4-phenylpiperidine-4-carboxylate
SpectraBase Compound ID 2UKevdKHQAC
InChI InChI=1S/C32H34N2O4/c1-4-38-31(36)32(25-13-9-6-10-14-25)17-19-33(20-18-32)30(35)29-23(2)34(22-24-11-7-5-8-12-24)28-16-15-26(37-3)21-27(28)29/h5-16,21H,4,17-20,22H2,1-3H3
InChIKey XCNIGSXCLLWKDB-UHFFFAOYSA-N
Mol Weight 510.6 g/mol
Molecular Formula C32H34N2O4
Exact Mass 510.251858 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BCq1qpXucp8
Name Ethyl 1-[(1-benzyl-5-methoxy-2-methyl-1H-indol-3-yl)carbonyl]-4-phenylpiperidine-4-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 510.251857579 u
Formula C32H34N2O4
InChI InChI=1S/C32H34N2O4/c1-4-38-31(36)32(25-13-9-6-10-14-25)17-19-33(20-18-32)30(35)29-23(2)34(22-24-11-7-5-8-12-24)28-16-15-26(37-3)21-27(28)29/h5-16,21H,4,17-20,22H2,1-3H3
InChIKey XCNIGSXCLLWKDB-UHFFFAOYSA-N
Molecular Weight 510.634 g/mol
SMILES C1(=C(N(CC2=CC=CC=C2)C=2C1=CC(=CC2)OC)C)C(N1CCC(CC1)(C(=O)OCC)C1=CC=CC=C1)=O