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(2E)-N-(5-chloro-2-methylphenyl)-2-cyano-3-[1-(1-naphthylmethyl)-1H-indol-3-yl]-2-propenamide
SpectraBase Compound ID IwWFBPItv4l
InChI InChI=1S/C30H22ClN3O/c1-20-13-14-25(31)16-28(20)33-30(35)23(17-32)15-24-19-34(29-12-5-4-11-27(24)29)18-22-9-6-8-21-7-2-3-10-26(21)22/h2-16,19H,18H2,1H3,(H,33,35)/b23-15+
InChIKey RSJIIOOJDKSIHD-HZHRSRAPSA-N
Mol Weight 475.98 g/mol
Molecular Formula C30H22ClN3O
Exact Mass 475.14514 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B8gQxgja73u
Name (2E)-N-(5-Chloro-2-methylphenyl)-2-cyano-3-[1-(1-naphthylmethyl)-1H-indol-3-yl]-2-propenamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 475.145140039 u
Formula C30H22ClN3O
InChI InChI=1S/C30H22ClN3O/c1-20-13-14-25(31)16-28(20)33-30(35)23(17-32)15-24-19-34(29-12-5-4-11-27(24)29)18-22-9-6-8-21-7-2-3-10-26(21)22/h2-16,19H,18H2,1H3,(H,33,35)/b23-15+
InChIKey RSJIIOOJDKSIHD-HZHRSRAPSA-N
Molecular Weight 475.979 g/mol
SMILES N(C(\C(=C\C1=CN(C2=C1C=CC=C2)CC=1C=2C(=CC=CC2)C=CC1)C#N)=O)C1=CC(Cl)=CC=C1C