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7-Methoxy-2-(2-(4-methoxyphenyl)ethynyl)-3-[1-(2-(4-methoxyphenyl)ethyl)-3-(4-methoxyphenyl)pyrrol-4-yl]indole
SpectraBase Compound ID 9CPp4U7X4dx
InChI InChI=1S/C38H34N2O4/c1-41-29-15-8-26(9-16-29)12-21-35-37(32-6-5-7-36(44-4)38(32)39-35)34-25-40(23-22-27-10-17-30(42-2)18-11-27)24-33(34)28-13-19-31(43-3)20-14-28/h5-11,13-20,24-25,39H,22-23H2,1-4H3
InChIKey OZYMONRIZURADO-UHFFFAOYSA-N
Mol Weight 582.7 g/mol
Molecular Formula C38H34N2O4
Exact Mass 582.251858 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J9SjsULxhzi
Name 7-Methoxy-2-(2-(4-methoxyphenyl)ethynyl)-3-[1-(2-(4-methoxyphenyl)ethyl)-3-(4-methoxyphenyl)pyrrol-4-yl]indole
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 582.251857579 u
Formula C38H34N2O4
InChI InChI=1S/C38H34N2O4/c1-41-29-15-8-26(9-16-29)12-21-35-37(32-6-5-7-36(44-4)38(32)39-35)34-25-40(23-22-27-10-17-30(42-2)18-11-27)24-33(34)28-13-19-31(43-3)20-14-28/h5-11,13-20,24-25,39H,22-23H2,1-4H3
InChIKey OZYMONRIZURADO-UHFFFAOYSA-N
Molecular Weight 582.700 g/mol
SMILES C=1(C2=C(NC3=C2C=CC=C3OC)C#CC=2C=CC(=CC2)OC)C(=CN(C1)CCC1=CC=C(C=C1)OC)C1=CC=C(C=C1)OC