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4-[({[4-methyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
SpectraBase Compound ID 4w5IuSxm26c
InChI InChI=1S/C16H14N6O3S/c1-22-14(12-8-17-6-7-18-12)20-21-16(22)26-9-13(23)19-11-4-2-10(3-5-11)15(24)25/h2-8H,9H2,1H3,(H,19,23)(H,24,25)
InChIKey XUCNDCXKHUYRSC-UHFFFAOYSA-N
Mol Weight 370.39 g/mol
Molecular Formula C16H14N6O3S
Exact Mass 370.08481 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LJTDHQAwObu
Name 4-[({[4-methyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoic acid
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/C16H14N6O3S/c1-22-14(12-8-17-6-7-18-12)20-21-16(22)26-9-13(23)19-11-4-2-10(3-5-11)15(24)25/h2-8H,9H2,1H3,(H,19,23)(H,24,25)
InChIKey XUCNDCXKHUYRSC-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35838
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: E94393; SBI_ID: SBI-035842
Temperature 308 °C