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3-pyridinecarboxamide, 2-[(cyanomethyl)thio]-6-cyclopropyl-4-(4-fluorophenyl)-
SpectraBase Compound ID 5NKSTxzv8Ol
InChI InChI=1S/C17H14FN3OS/c18-12-5-3-10(4-6-12)13-9-14(11-1-2-11)21-17(23-8-7-19)15(13)16(20)22/h3-6,9,11H,1-2,8H2,(H2,20,22)
InChIKey AWDOPKFGKPZBEK-UHFFFAOYSA-N
Mol Weight 327.38 g/mol
Molecular Formula C17H14FN3OS
Exact Mass 327.084161 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CEehlzhmlv
Name 3-pyridinecarboxamide, 2-[(cyanomethyl)thio]-6-cyclopropyl-4-(4-fluorophenyl)-
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/C17H14FN3OS/c18-12-5-3-10(4-6-12)13-9-14(11-1-2-11)21-17(23-8-7-19)15(13)16(20)22/h3-6,9,11H,1-2,8H2,(H2,20,22)
InChIKey AWDOPKFGKPZBEK-UHFFFAOYSA-N
NMR Offset 16.4447
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_6591
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: TSH/5636685; IOH_ID: IOH-013595
Temperature 297 °C