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3H-1,2,4-triazol-3-one, 4-amino-2,4-dihydro-2-[(4-nitrophenyl)methyl]-
SpectraBase Compound ID JvDZeWey9mN
InChI InChI=1S/C9H9N5O3/c10-12-6-11-13(9(12)15)5-7-1-3-8(4-2-7)14(16)17/h1-4,6H,5,10H2
InChIKey SXKAESAMNSZLPZ-UHFFFAOYSA-N
Mol Weight 235.2 g/mol
Molecular Formula C9H9N5O3
Exact Mass 235.070539 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DPx1tGTQwph
Name 3H-1,2,4-triazol-3-one, 4-amino-2,4-dihydro-2-[(4-nitrophenyl)methyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 235.070539167 u
Formula C9H9N5O3
InChI InChI=1S/C9H9N5O3/c10-12-6-11-13(9(12)15)5-7-1-3-8(4-2-7)14(16)17/h1-4,6H,5,10H2
InChIKey SXKAESAMNSZLPZ-UHFFFAOYSA-N
Molecular Weight 235.203 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_18130
Solvent DMSO-d6
Source Vendor ID: NMR/11280438; Lab Info: L-42.Shitov; Lab Number: L-42/1060006