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4-methyl-3-{5-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-2-furyl}benzoic acid
SpectraBase Compound ID IJb2qrEYKJ6
InChI InChI=1S/C15H12N4O3/c1-10-2-3-11(15(20)21)6-13(10)14-5-4-12(22-14)7-18-19-8-16-17-9-19/h2-9H,1H3,(H,20,21)/b18-7+
InChIKey DXKUHNIPEZDVDS-CNHKJKLMSA-N
Mol Weight 296.29 g/mol
Molecular Formula C15H12N4O3
Exact Mass 296.09094 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H91hdJdeDRE
Name 4-methyl-3-{5-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-2-furyl}benzoic acid
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/C15H12N4O3/c1-10-2-3-11(15(20)21)6-13(10)14-5-4-12(22-14)7-18-19-8-16-17-9-19/h2-9H,1H3,(H,20,21)/b18-7+
InChIKey DXKUHNIPEZDVDS-CNHKJKLMSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8449
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: D36229; Labnumber: SPDEM5-38664; SBI_ID: SBI-008452
Synonyms 4-methyl-3-{5-[(4H-1,2,4-triazol-4-ylimino)methyl]-2-furyl}benzoic acid
Temperature 315 °C