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2-methoxy-4-((E)-{[3-(3-methyl-1H-pyrazol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
SpectraBase Compound ID gCgfMaYBm4
InChI InChI=1S/C14H14N6O2S/c1-8-5-10(17-16-8)13-18-19-14(23)20(13)15-7-9-3-4-11(21)12(6-9)22-2/h3-7,21H,1-2H3,(H,16,17)(H,19,23)/b15-7+
InChIKey LOTYZVFFHXRXLV-VIZOYTHASA-N
Mol Weight 330.37 g/mol
Molecular Formula C14H14N6O2S
Exact Mass 330.089895 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 91pXA6hOS0U
Name 2-methoxy-4-((E)-{[3-(3-methyl-1H-pyrazol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
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/C14H14N6O2S/c1-8-5-10(17-16-8)13-18-19-14(23)20(13)15-7-9-3-4-11(21)12(6-9)22-2/h3-7,21H,1-2H3,(H,16,17)(H,19,23)/b15-7+
InChIKey LOTYZVFFHXRXLV-VIZOYTHASA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3998
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: E00458; Labnumber: GRES-05736; SBI_ID: SBI-004000
Synonyms 2-methoxy-4-({[3-(3-methyl-1H-pyrazol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]imino}methyl)phenol
Temperature 318 °C