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N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-5-nitro-1H-pyrazole-3-carboxamide

View entire compound with spectra: 1 NMR

N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-5-nitro-1H-pyrazole-3-carboxamide
SpectraBase Compound ID GfcHHLu11KE
InChI InChI=1S/C12H9ClN4O5/c13-9-10(15-16-11(9)17(19)20)12(18)14-4-6-1-2-7-8(3-6)22-5-21-7/h1-3H,4-5H2,(H,14,18)(H,15,16)
InChIKey QLYOIJJLXFBIJM-UHFFFAOYSA-N
Mol Weight 324.68 g/mol
Molecular Formula C12H9ClN4O5
Exact Mass 324.026147 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5KiaCvDjKcz
Name N-(1,3-benzodioxol-5-ylmethyl)-4-chloro-5-nitro-1H-pyrazole-3-carboxamide
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/C12H9ClN4O5/c13-9-10(15-16-11(9)17(19)20)12(18)14-4-6-1-2-7-8(3-6)22-5-21-7/h1-3H,4-5H2,(H,14,18)(H,15,16)
InChIKey QLYOIJJLXFBIJM-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18726
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: UZI/9127851; UBI_ID: UBI-018729
Temperature 308 °C