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1-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzoyl}-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
SpectraBase Compound ID F8xAHkM6WkK
InChI InChI=1S/C16H13BrF3N5O4/c1-9-6-15(27,16(18,19)20)24(21-9)14(26)11-4-2-3-10(5-11)7-23-8-12(17)13(22-23)25(28)29/h2-5,8,27H,6-7H2,1H3
InChIKey YBUILCGIHSEOCU-UHFFFAOYSA-N
Mol Weight 476.21 g/mol
Molecular Formula C16H13BrF3N5O4
Exact Mass 475.010301 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LQtLfUOK5E9
Name 1-{3-[(4-bromo-3-nitro-1H-pyrazol-1-yl)methyl]benzoyl}-3-methyl-5-(trifluoromethyl)-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/C16H13BrF3N5O4/c1-9-6-15(27,16(18,19)20)24(21-9)14(26)11-4-2-3-10(5-11)7-23-8-12(17)13(22-23)25(28)29/h2-5,8,27H,6-7H2,1H3
InChIKey YBUILCGIHSEOCU-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_18472
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/1028065; Labnumber: TYD0344; UZI_ID: UZI-018479
Temperature 308 °C