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2-bromo-4-((E)-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl)-6-methoxyphenol
SpectraBase Compound ID 82b5olMGicJ
InChI InChI=1S/C16H17BrN6O2/c1-9-5-10(2)22(21-9)16-20-19-11(3)23(16)18-8-12-6-13(17)15(24)14(7-12)25-4/h5-8,24H,1-4H3/b18-8+
InChIKey VQQISTCWQDWHDV-QGMBQPNBSA-N
Mol Weight 405.26 g/mol
Molecular Formula C16H17BrN6O2
Exact Mass 404.059637 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EppOSrdhVyA
Name 2-bromo-4-((E)-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl)-6-methoxyphenol
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/C16H17BrN6O2/c1-9-5-10(2)22(21-9)16-20-19-11(3)23(16)18-8-12-6-13(17)15(24)14(7-12)25-4/h5-8,24H,1-4H3/b18-8+
InChIKey VQQISTCWQDWHDV-QGMBQPNBSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3585
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: UZI/8094964; UBI_ID: UBI-003586
Synonyms 2-bromo-4-({[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl)-6-methoxyphenol
Temperature 308 °C