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1-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzoyl}-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
SpectraBase Compound ID GttNEDe5HcU
InChI InChI=1S/C16H12BrF4N5O4/c17-10-7-24(23-13(10)26(29)30)6-8-2-1-3-9(4-8)14(27)25-16(28,15(20)21)5-11(22-25)12(18)19/h1-4,7,12,15,28H,5-6H2
InChIKey SOQSMWBBFCZZBU-UHFFFAOYSA-N
Mol Weight 494.2 g/mol
Molecular Formula C16H12BrF4N5O4
Exact Mass 493.00088 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9ifxd2brTaN
Name 1-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzoyl}-3,5-bis(difluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
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/C16H12BrF4N5O4/c17-10-7-24(23-13(10)26(29)30)6-8-2-1-3-9(4-8)14(27)25-16(28,15(20)21)5-11(22-25)12(18)19/h1-4,7,12,15,28H,5-6H2
InChIKey SOQSMWBBFCZZBU-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_18439
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/1025673; Labnumber: TYD0306; UZI_ID: UZI-018446
Temperature 308 °C