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4-(4-Chlorophenyl)-5-cyano-2-keto-6-[[2-keto-2-(thiazol-2-ylamino)ethyl]thio]-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester

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4-(4-Chlorophenyl)-5-cyano-2-keto-6-[[2-keto-2-(thiazol-2-ylamino)ethyl]thio]-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester
SpectraBase Compound ID IUaATWSL8rL
InChI InChI=1S/C19H15ClN4O4S2/c1-28-18(27)15-14(10-2-4-11(20)5-3-10)12(8-21)17(24-16(15)26)30-9-13(25)23-19-22-6-7-29-19/h2-7,14-15H,9H2,1H3,(H,24,26)(H,22,23,25)
InChIKey YPPMUCIDLSBERH-UHFFFAOYSA-N
Mol Weight 462.93 g/mol
Molecular Formula C19H15ClN4O4S2
Exact Mass 462.022325 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J8RsWAVcqAU
Name 3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-1,2,3,4-tetrahydro-2-oxo-6-[[2-oxo-2-(2-thiazolylamino)ethyl]thio]-, methyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 462.022325023 u
Formula C19H15ClN4O4S2
InChI InChI=1S/C19H15ClN4O4S2/c1-28-18(27)15-14(10-2-4-11(20)5-3-10)12(8-21)17(24-16(15)26)30-9-13(25)23-19-22-6-7-29-19/h2-7,14-15H,9H2,1H3,(H,24,26)(H,22,23,25)
InChIKey YPPMUCIDLSBERH-UHFFFAOYSA-N
Molecular Weight 462.926 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10507
Solvent DMSO-d6
Source Vendor ID: NMR/10251755; Lab Info: KR; Lab Number: KR-KK00011