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3-methyl-1-{4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoyl}-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
SpectraBase Compound ID FT3RtS5sDUa
InChI InChI=1S/C16H14F3N5O4/c1-10-6-15(26,16(17,18)19)23(21-10)14(25)12-4-2-11(3-5-12)8-22-9-13(7-20-22)24(27)28/h2-5,7,9,26H,6,8H2,1H3
InChIKey AKZFSQOGRMLNOE-UHFFFAOYSA-N
Mol Weight 397.31 g/mol
Molecular Formula C16H14F3N5O4
Exact Mass 397.099788 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gtb24qsZTAK
Name 3-methyl-1-{4-[(4-nitro-1H-pyrazol-1-yl)methyl]benzoyl}-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/C16H14F3N5O4/c1-10-6-15(26,16(17,18)19)23(21-10)14(25)12-4-2-11(3-5-12)8-22-9-13(7-20-22)24(27)28/h2-5,7,9,26H,6,8H2,1H3
InChIKey AKZFSQOGRMLNOE-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_18503
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/1027539; Labnumber: TYD0381; UZI_ID: UZI-018510
Temperature 308 °C