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2-((E)-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl)-4,6-diiodophenol
SpectraBase Compound ID 4IY0LjEupm6
InChI InChI=1S/C15H14I2N6O/c1-8-4-9(2)22(21-8)15-20-19-10(3)23(15)18-7-11-5-12(16)6-13(17)14(11)24/h4-7,24H,1-3H3/b18-7+
InChIKey ZJZFSFNLMGCXLO-CNHKJKLMSA-N
Mol Weight 548.13 g/mol
Molecular Formula C15H14I2N6O
Exact Mass 547.931849 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5wYKsOZFn9d
Name 2-((E)-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl)-4,6-diiodophenol
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/C15H14I2N6O/c1-8-4-9(2)22(21-8)15-20-19-10(3)23(15)18-7-11-5-12(16)6-13(17)14(11)24/h4-7,24H,1-3H3/b18-7+
InChIKey ZJZFSFNLMGCXLO-CNHKJKLMSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3591
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: UZI/8095352; UBI_ID: UBI-003592
Synonyms 2-({[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl)-4,6-diiodophenol
Temperature 308 °C