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1H-1,2,4-triazole-3-acetamide, 5-(5-bromo-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-
SpectraBase Compound ID 56aeRDeSqHW
InChI InChI=1S/C17H16BrN5O2/c1-25-14-4-2-11(3-5-14)8-20-16(24)7-15-21-17(23-22-15)12-6-13(18)10-19-9-12/h2-6,9-10H,7-8H2,1H3,(H,20,24)(H,21,22,23)
InChIKey DRBMXSZYSHOTJC-UHFFFAOYSA-N
Mol Weight 402.25 g/mol
Molecular Formula C17H16BrN5O2
Exact Mass 401.048738 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Kqso7X8ey6f
Name 1H-1,2,4-triazole-3-acetamide, 5-(5-bromo-3-pyridinyl)-N-[(4-methoxyphenyl)methyl]-
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/C17H16BrN5O2/c1-25-14-4-2-11(3-5-14)8-20-16(24)7-15-21-17(23-22-15)12-6-13(18)10-19-9-12/h2-6,9-10H,7-8H2,1H3,(H,20,24)(H,21,22,23)
InChIKey DRBMXSZYSHOTJC-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_5712
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: NMR/17311017; Labnumber: DOR-712010