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

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3-pyridinecarboxylic acid, 6-[(2-amino-2-oxoethyl)thio]-4-(4-chlorophenyl)-5-cyano-1,2,3,4-tetrahydro-2-oxo-, methyl ester
SpectraBase Compound ID 8yrSRaed5y4
InChI InChI=1S/C16H14ClN3O4S/c1-24-16(23)13-12(8-2-4-9(17)5-3-8)10(6-18)15(20-14(13)22)25-7-11(19)21/h2-5,12-13H,7H2,1H3,(H2,19,21)(H,20,22)
InChIKey QJRGSBAKRDFJPT-UHFFFAOYSA-N
Mol Weight 379.82 g/mol
Molecular Formula C16H14ClN3O4S
Exact Mass 379.039355 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 419axASzqCb
Name 3-pyridinecarboxylic acid, 6-[(2-amino-2-oxoethyl)thio]-4-(4-chlorophenyl)-5-cyano-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/C16H14ClN3O4S/c1-24-16(23)13-12(8-2-4-9(17)5-3-8)10(6-18)15(20-14(13)22)25-7-11(19)21/h2-5,12-13H,7H2,1H3,(H2,19,21)(H,20,22)
InChIKey QJRGSBAKRDFJPT-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_CB_8313_1307
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/8325154; Labnumber: KR-0002699
Temperature 297 °C