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3,5-bis(difluoromethyl)-1-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl}-4,5-dihydro-1H-pyrazol-5-ol
SpectraBase Compound ID VcbwjWa5G
InChI InChI=1S/C18H17F4N5O4/c1-9-14(27(30)31)10(2)25(23-9)8-11-4-3-5-12(6-11)16(28)26-18(29,17(21)22)7-13(24-26)15(19)20/h3-6,15,17,29H,7-8H2,1-2H3
InChIKey WOFLWSBQSUTCHE-UHFFFAOYSA-N
Mol Weight 443.36 g/mol
Molecular Formula C18H17F4N5O4
Exact Mass 443.121667 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ANoGfiR7JU5
Name 3,5-bis(difluoromethyl)-1-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]benzoyl}-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/C18H17F4N5O4/c1-9-14(27(30)31)10(2)25(23-9)8-11-4-3-5-12(6-11)16(28)26-18(29,17(21)22)7-13(24-26)15(19)20/h3-6,15,17,29H,7-8H2,1-2H3
InChIKey WOFLWSBQSUTCHE-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_18475
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/1029063; Labnumber: TYD0347; UZI_ID: UZI-018482
Temperature 308 °C