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4-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
SpectraBase Compound ID FOYG778AhPi
InChI InChI=1S/C11H8BrN3O4/c12-9-6-14(13-10(9)15(18)19)5-7-1-3-8(4-2-7)11(16)17/h1-4,6H,5H2,(H,16,17)
InChIKey VGWJEMWTFJJPLX-UHFFFAOYSA-N
Mol Weight 326.11 g/mol
Molecular Formula C11H8BrN3O4
Exact Mass 324.969819 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EdV3N8YiMRV
Name 4-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzoic acid
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/C11H8BrN3O4/c12-9-6-14(13-10(9)15(18)19)5-7-1-3-8(4-2-7)11(16)17/h1-4,6H,5H2,(H,16,17)
InChIKey VGWJEMWTFJJPLX-UHFFFAOYSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_243
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/9098747; UBI_ID: UBI-000244
Temperature 303 °C