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3,5-pyridinedicarbonitrile, 2-amino-6-[[(4-nitrophenyl)methyl]thio]-
SpectraBase Compound ID BCcZeZXRCD8
InChI InChI=1S/C14H9N5O2S/c15-6-10-5-11(7-16)14(18-13(10)17)22-8-9-1-3-12(4-2-9)19(20)21/h1-5H,8H2,(H2,17,18)
InChIKey MJQQIHBGLVTRSH-UHFFFAOYSA-N
Mol Weight 311.32 g/mol
Molecular Formula C14H9N5O2S
Exact Mass 311.047696 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GxFb0oepT63
Name 3,5-pyridinedicarbonitrile, 2-amino-6-[[(4-nitrophenyl)methyl]thio]-
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/C14H9N5O2S/c15-6-10-5-11(7-16)14(18-13(10)17)22-8-9-1-3-12(4-2-9)19(20)21/h1-5H,8H2,(H2,17,18)
InChIKey MJQQIHBGLVTRSH-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_6359
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: EZI/12105; IOH_ID: IOH-013363