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benzyl {[6-amino-4-(2-chlorophenyl)-3,5-dicyano-2-pyridinyl]sulfanyl}acetate
SpectraBase Compound ID 7jciBA7zks5
InChI InChI=1S/C22H15ClN4O2S/c23-18-9-5-4-8-15(18)20-16(10-24)21(26)27-22(17(20)11-25)30-13-19(28)29-12-14-6-2-1-3-7-14/h1-9H,12-13H2,(H2,26,27)
InChIKey HIUQWHIRLRMRKH-UHFFFAOYSA-N
Mol Weight 434.9 g/mol
Molecular Formula C22H15ClN4O2S
Exact Mass 434.060425 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KJhNnORxKw6
Name benzyl {[6-amino-4-(2-chlorophenyl)-3,5-dicyano-2-pyridinyl]sulfanyl}acetate
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/C22H15ClN4O2S/c23-18-9-5-4-8-15(18)20-16(10-24)21(26)27-22(17(20)11-25)30-13-19(28)29-12-14-6-2-1-3-7-14/h1-9H,12-13H2,(H2,26,27)
InChIKey HIUQWHIRLRMRKH-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7529_3355
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/10211953; Labnumber: KR-KSG1G64
Temperature 297 °C