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4-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]benzoic acid

View entire compound with spectra: 1 NMR

4-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]benzoic acid
SpectraBase Compound ID BveDR04674O
InChI InChI=1S/C10H8N4O2/c15-10(16)9-3-1-8(2-4-9)5-13-14-6-11-12-7-14/h1-7H,(H,15,16)/b13-5+
InChIKey SFOMSYHWRVDKTB-WLRTZDKTSA-N
Mol Weight 216.2 g/mol
Molecular Formula C10H8N4O2
Exact Mass 216.064726 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6vPA9LCBy7F
Name 4-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]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/C10H8N4O2/c15-10(16)9-3-1-8(2-4-9)5-13-14-6-11-12-7-14/h1-7H,(H,15,16)/b13-5+
InChIKey SFOMSYHWRVDKTB-WLRTZDKTSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_19082
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: D12538; Labnumber: GRES-00430; SBI_ID: SBI-019085
Synonyms 4-[(4H-1,2,4-triazol-4-ylimino)methyl]benzoic acid
Temperature 318 °C