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

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3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-1,2,3,4-tetrahydro-6-[[2-[(4-iodophenyl)amino]-2-oxoethyl]thio]-2-oxo-, methyl ester
SpectraBase Compound ID 3VOI9MtHAFd
InChI InChI=1S/C22H17ClIN3O4S/c1-31-22(30)19-18(12-2-4-13(23)5-3-12)16(10-25)21(27-20(19)29)32-11-17(28)26-15-8-6-14(24)7-9-15/h2-9,18-19H,11H2,1H3,(H,26,28)(H,27,29)
InChIKey NQJPUHBSTKAVBJ-UHFFFAOYSA-N
Mol Weight 581.81 g/mol
Molecular Formula C22H17ClIN3O4S
Exact Mass 580.9673 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8UCQBntDNAi
Name 3-pyridinecarboxylic acid, 4-(4-chlorophenyl)-5-cyano-1,2,3,4-tetrahydro-6-[[2-[(4-iodophenyl)amino]-2-oxoethyl]thio]-2-oxo-, 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 580.967299909 u
Formula C22H17ClIN3O4S
InChI InChI=1S/C22H17ClIN3O4S/c1-31-22(30)19-18(12-2-4-13(23)5-3-12)16(10-25)21(27-20(19)29)32-11-17(28)26-15-8-6-14(24)7-9-15/h2-9,18-19H,11H2,1H3,(H,26,28)(H,27,29)
InChIKey NQJPUHBSTKAVBJ-UHFFFAOYSA-N
Molecular Weight 581.812 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10509
Solvent DMSO-d6
Source Vendor ID: NMR/10251757; Lab Info: KR; Lab Number: KR-KK00013