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N-{3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]phenyl}benzamide
SpectraBase Compound ID 2gdTAAWJFj8
InChI InChI=1S/C17H16N4OS/c1-21-15(19-20-17(21)23-2)13-9-6-10-14(11-13)18-16(22)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,18,22)
InChIKey LQEIQESQQCQWIC-UHFFFAOYSA-N
Mol Weight 324.4 g/mol
Molecular Formula C17H16N4OS
Exact Mass 324.104482 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IgirvCLUxmS
Name N-{3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]phenyl}benzamide
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/C17H16N4OS/c1-21-15(19-20-17(21)23-2)13-9-6-10-14(11-13)18-16(22)12-7-4-3-5-8-12/h3-11H,1-2H3,(H,18,22)
InChIKey LQEIQESQQCQWIC-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7254
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: D28917; Labnumber: SPKOL-4474; SBI_ID: SBI-007257
Temperature 306 °C