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1-{4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl}-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
SpectraBase Compound ID AF2ygeDmzfC
InChI InChI=1S/C18H18F3N5O4/c1-10-8-17(28,18(19,20)21)25(22-10)16(27)14-6-4-13(5-7-14)9-24-12(3)15(26(29)30)11(2)23-24/h4-7,28H,8-9H2,1-3H3
InChIKey RRFNBODQRSSBGR-UHFFFAOYSA-N
Mol Weight 425.37 g/mol
Molecular Formula C18H18F3N5O4
Exact Mass 425.131089 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9ZaQ0AsVt0D
Name 1-{4-[(3,5-dimethyl-4-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/C18H18F3N5O4/c1-10-8-17(28,18(19,20)21)25(22-10)16(27)14-6-4-13(5-7-14)9-24-12(3)15(26(29)30)11(2)23-24/h4-7,28H,8-9H2,1-3H3
InChIKey RRFNBODQRSSBGR-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_18489
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/1028008; Labnumber: TYD0365; UZI_ID: UZI-018496
Temperature 308 °C