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benzeneacetamide, N-[3-[[2-(5-methoxy-1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-alpha-phenyl-
SpectraBase Compound ID CMEBHwZI64x
InChI InChI=1S/C28H29N3O3/c1-34-23-12-13-25-24(18-23)22(19-31-25)14-16-29-26(32)15-17-30-28(33)27(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18-19,27,31H,14-17H2,1H3,(H,29,32)(H,30,33)
InChIKey MDGUQYKJYRINGE-UHFFFAOYSA-N
Mol Weight 455.56 g/mol
Molecular Formula C28H29N3O3
Exact Mass 455.220892 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BKvnZJqssJH
Name Benzeneacetamide, N-[3-[[2-(5-methoxy-1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-alpha-phenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 455.220891803 u
Formula C28H29N3O3
InChI InChI=1S/C28H29N3O3/c1-34-23-12-13-25-24(18-23)22(19-31-25)14-16-29-26(32)15-17-30-28(33)27(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,18-19,27,31H,14-17H2,1H3,(H,29,32)(H,30,33)
InChIKey MDGUQYKJYRINGE-UHFFFAOYSA-N
Molecular Weight 455.558 g/mol
SMILES N(C(C(C=1C=CC=CC1)C1=CC=CC=C1)=O)CCC(NCCC1=CNC2=C1C=C(C=C2)OC)=O