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4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]benzoic acid
SpectraBase Compound ID LanFG5o2RmT
InChI InChI=1S/C10H8N4O4/c15-9(16)8-3-1-7(2-4-8)5-13-6-11-10(12-13)14(17)18/h1-4,6H,5H2,(H,15,16)
InChIKey PIXUDTSYBZWQLQ-UHFFFAOYSA-N
Mol Weight 248.2 g/mol
Molecular Formula C10H8N4O4
Exact Mass 248.054555 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DzZuqIbyFJ9
Name 4-[(3-nitro-1H-1,2,4-triazol-1-yl)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/C10H8N4O4/c15-9(16)8-3-1-7(2-4-8)5-13-6-11-10(12-13)14(17)18/h1-4,6H,5H2,(H,15,16)
InChIKey PIXUDTSYBZWQLQ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_1673
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/9099053; Labnumber: AK-968/0000017; UZI_ID: UZI-001675
Temperature 308 °C