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benzoic acid, 2-chloro-5-(4H-1,2,4-triazol-4-yl)-

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benzoic acid, 2-chloro-5-(4H-1,2,4-triazol-4-yl)-
SpectraBase Compound ID JTLcq7nnyd1
InChI InChI=1S/C9H6ClN3O2/c10-8-2-1-6(3-7(8)9(14)15)13-4-11-12-5-13/h1-5H,(H,14,15)
InChIKey MYPYOBGBVHWJOE-UHFFFAOYSA-N
Mol Weight 223.62 g/mol
Molecular Formula C9H6ClN3O2
Exact Mass 223.014854 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2MQgQIR2KyV
Name benzoic acid, 2-chloro-5-(4H-1,2,4-triazol-4-yl)-
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/C9H6ClN3O2/c10-8-2-1-6(3-7(8)9(14)15)13-4-11-12-5-13/h1-5H,(H,14,15)
InChIKey MYPYOBGBVHWJOE-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_6257
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: NMR/18251001; Labnumber: MAZ-80501