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5-nitro-2,4-bis(3-oxobutyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

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5-nitro-2,4-bis(3-oxobutyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
SpectraBase Compound ID 2gwMD9z9cgZ
InChI InChI=1S/C10H14N4O5/c1-7(15)3-5-12-9(14(18)19)11-13(10(12)17)6-4-8(2)16/h3-6H2,1-2H3
InChIKey QXTOUNLHAZBEFF-UHFFFAOYSA-N
Mol Weight 270.25 g/mol
Molecular Formula C10H14N4O5
Exact Mass 270.09642 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1JJvGW4CtcJ
Name 5-nitro-2,4-bis(3-oxobutyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
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/C10H14N4O5/c1-7(15)3-5-12-9(14(18)19)11-13(10(12)17)6-4-8(2)16/h3-6H2,1-2H3
InChIKey QXTOUNLHAZBEFF-UHFFFAOYSA-N
NMR Offset 16.4447
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_2500
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: ZI/5076879; Labnumber: L-42/0001404; IOH_ID: IOH-002501
Temperature 297 °C