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2-methyl-3-{5-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-2-furyl}benzoic acid
SpectraBase Compound ID 3SFs7aDur8R
InChI InChI=1S/C15H12N4O3/c1-10-12(3-2-4-13(10)15(20)21)14-6-5-11(22-14)7-18-19-8-16-17-9-19/h2-9H,1H3,(H,20,21)/b18-7+
InChIKey BHHMSGPGEPLOCX-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 GZNm3wQfK2N
Name 2-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/c1-10-12(3-2-4-13(10)15(20)21)14-6-5-11(22-14)7-18-19-8-16-17-9-19/h2-9H,1H3,(H,20,21)/b18-7+
InChIKey BHHMSGPGEPLOCX-CNHKJKLMSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7532
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: D48074; Labnumber: SPDEM5-38665; SBI_ID: SBI-007535
Synonyms 2-methyl-3-{5-[(4H-1,2,4-triazol-4-ylimino)methyl]-2-furyl}benzoic acid
Temperature 318 °C