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alanine, N-(2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazin-6-yl)-, 2-[(E)-(2-chloro-6-fluorophenyl)methylidene]hydrazide
SpectraBase Compound ID 6AklLvFFFER
InChI InChI=1S/C13H12ClFN6O3/c1-6(17-10-12(23)18-13(24)21-19-10)11(22)20-16-5-7-8(14)3-2-4-9(7)15/h2-6H,1H3,(H,17,19)(H,20,22)(H2,18,21,23,24)/b16-5+
InChIKey PRXCMJAYSQMJRR-FZSIALSZSA-N
Mol Weight 354.73 g/mol
Molecular Formula C13H12ClFN6O3
Exact Mass 354.064344 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FQn2A7Aa6vA
Name alanine, N-(2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazin-6-yl)-, 2-[(E)-(2-chloro-6-fluorophenyl)methylidene]hydrazide
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/C13H12ClFN6O3/c1-6(17-10-12(23)18-13(24)21-19-10)11(22)20-16-5-7-8(14)3-2-4-9(7)15/h2-6H,1H3,(H,17,19)(H,20,22)(H2,18,21,23,24)/b16-5+
InChIKey PRXCMJAYSQMJRR-FZSIALSZSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_3332
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/10238305