For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

3-pyridinecarboxylic acid, 6-[(2-amino-2-oxoethyl)thio]-5-cyano-4-(2-ethoxyphenyl)-1,2,3,4-tetrahydro-2-oxo-, methyl ester

View entire compound with spectra: 1 NMR

3-pyridinecarboxylic acid, 6-[(2-amino-2-oxoethyl)thio]-5-cyano-4-(2-ethoxyphenyl)-1,2,3,4-tetrahydro-2-oxo-, methyl ester
SpectraBase Compound ID LiJMLbFvrBx
InChI InChI=1S/C18H19N3O5S/c1-3-26-12-7-5-4-6-10(12)14-11(8-19)17(27-9-13(20)22)21-16(23)15(14)18(24)25-2/h4-7,14-15H,3,9H2,1-2H3,(H2,20,22)(H,21,23)
InChIKey UHSGIZIMIHBINJ-UHFFFAOYSA-N
Mol Weight 389.43 g/mol
Molecular Formula C18H19N3O5S
Exact Mass 389.104542 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6ZNc7LNII5h
Name 3-pyridinecarboxylic acid, 6-[(2-amino-2-oxoethyl)thio]-5-cyano-4-(2-ethoxyphenyl)-1,2,3,4-tetrahydro-2-oxo-, methyl ester
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/C18H19N3O5S/c1-3-26-12-7-5-4-6-10(12)14-11(8-19)17(27-9-13(20)22)21-16(23)15(14)18(24)25-2/h4-7,14-15H,3,9H2,1-2H3,(H2,20,22)(H,21,23)
InChIKey UHSGIZIMIHBINJ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_2331
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/9253168; Labnumber: KR-0000020
Temperature 303 °C