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3-pyridinecarboxamide, 5-cyano-4-(2-ethoxyphenyl)-1,4-dihydro-2-methyl-N-phenyl-6-[(phenylmethyl)thio]-
SpectraBase Compound ID E242RKmrx0W
InChI InChI=1S/C29H27N3O2S/c1-3-34-25-17-11-10-16-23(25)27-24(18-30)29(35-19-21-12-6-4-7-13-21)31-20(2)26(27)28(33)32-22-14-8-5-9-15-22/h4-17,27,31H,3,19H2,1-2H3,(H,32,33)
InChIKey DCKWFYRVVSLHHA-UHFFFAOYSA-N
Mol Weight 481.61 g/mol
Molecular Formula C29H27N3O2S
Exact Mass 481.182398 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8GPtJQgMh9F
Name 3-pyridinecarboxamide, 5-cyano-4-(2-ethoxyphenyl)-1,4-dihydro-2-methyl-N-phenyl-6-[(phenylmethyl)thio]-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C29H27N3O2S/c1-3-34-25-17-11-10-16-23(25)27-24(18-30)29(35-19-21-12-6-4-7-13-21)31-20(2)26(27)28(33)32-22-14-8-5-9-15-22/h4-17,27,31H,3,19H2,1-2H3,(H,32,33)
InChIKey DCKWFYRVVSLHHA-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_2333
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/9253180; Labnumber: KR-0000032
Temperature 303 °C