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4-amino-1-[2-(4-nitrophenyl)-2-oxoethyl]-1H-1,2,4-triazol-4-ium

View entire compound with spectra: 1 NMR

4-amino-1-[2-(4-nitrophenyl)-2-oxoethyl]-1H-1,2,4-triazol-4-ium
SpectraBase Compound ID IhHwCBGyxJX
InChI InChI=1S/C10H10N5O3/c11-13-6-12-14(7-13)5-10(16)8-1-3-9(4-2-8)15(17)18/h1-4,6-7H,5,11H2/q+1
InChIKey KFXXYEXKJMJRAI-UHFFFAOYSA-N
Mol Weight 248.22 g/mol
Molecular Formula C10H10N5O3
Exact Mass 248.078364 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID PucJbshr9T
Name 4-amino-1-[2-(4-nitrophenyl)-2-oxoethyl]-1H-1,2,4-triazol-4-ium
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/C10H10N5O3/c11-13-6-12-14(7-13)5-10(16)8-1-3-9(4-2-8)15(17)18/h1-4,6-7H,5,11H2/q+1
InChIKey KFXXYEXKJMJRAI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9238
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: N10634; Labnumber: MK1-258; VK_ID: VK-009242
Temperature 318 °C