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2-(3-butoxyphenyl)-N-(3-cyano-5-methyl-4-phenyl-2-thienyl)-4-quinolinecarboxamide

View entire compound with spectra: 2 NMR

2-(3-butoxyphenyl)-N-(3-cyano-5-methyl-4-phenyl-2-thienyl)-4-quinolinecarboxamide
SpectraBase Compound ID KEr2TYy5dp4
InChI InChI=1S/C32H27N3O2S/c1-3-4-17-37-24-14-10-13-23(18-24)29-19-26(25-15-8-9-16-28(25)34-29)31(36)35-32-27(20-33)30(21(2)38-32)22-11-6-5-7-12-22/h5-16,18-19H,3-4,17H2,1-2H3,(H,35,36)
InChIKey PJTZHJVLWZDCNP-UHFFFAOYSA-N
Mol Weight 517.6 g/mol
Molecular Formula C32H27N3O2S
Exact Mass 517.182398 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ByyPVKY56JV
Name 2-(3-Butoxyphenyl)-N-(3-cyano-5-methyl-4-phenyl-2-thienyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 517.182398293 u
Formula C32H27N3O2S
InChI InChI=1S/C32H27N3O2S/c1-3-4-17-37-24-14-10-13-23(18-24)29-19-26(25-15-8-9-16-28(25)34-29)31(36)35-32-27(20-33)30(21(2)38-32)22-11-6-5-7-12-22/h5-16,18-19H,3-4,17H2,1-2H3,(H,35,36)
InChIKey PJTZHJVLWZDCNP-UHFFFAOYSA-N
Molecular Weight 517.647 g/mol
SMILES N(C1=C(C(=C(C)S1)C=1C=CC=CC1)C#N)C(C1=CC(C2=CC(OCCCC)=CC=C2)=NC=2C1=CC=CC2)=O