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methyl 4-[({[5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
SpectraBase Compound ID 30SnlPAwrx
InChI InChI=1S/C19H19N5O3S/c1-24-17(13-4-3-5-14(20)10-13)22-23-19(24)28-11-16(25)21-15-8-6-12(7-9-15)18(26)27-2/h3-10H,11,20H2,1-2H3,(H,21,25)
InChIKey GGERSNJDFSPKEO-UHFFFAOYSA-N
Mol Weight 397.45 g/mol
Molecular Formula C19H19N5O3S
Exact Mass 397.120861 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5CoceuuZ2q5
Name methyl 4-[({[5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
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/C19H19N5O3S/c1-24-17(13-4-3-5-14(20)10-13)22-23-19(24)28-11-16(25)21-15-8-6-12(7-9-15)18(26)27-2/h3-10H,11,20H2,1-2H3,(H,21,25)
InChIKey GGERSNJDFSPKEO-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7259
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: D28928; Labnumber: SPKOL-4508; SBI_ID: SBI-007262
Temperature 306 °C