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1-({4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolyl}carbonyl)-4-[3-(trifluoromethyl)benzyl]piperazine

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1-({4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolyl}carbonyl)-4-[3-(trifluoromethyl)benzyl]piperazine
SpectraBase Compound ID L6W7kajR4fj
InChI InChI=1S/C23H25F3N6O4/c1-14-21(32(34)35)15(2)31(27-14)13-19-16(3)36-28-20(19)22(33)30-9-7-29(8-10-30)12-17-5-4-6-18(11-17)23(24,25)26/h4-6,11H,7-10,12-13H2,1-3H3
InChIKey XXOGLYKVQHGOBT-UHFFFAOYSA-N
Mol Weight 506.49 g/mol
Molecular Formula C23H25F3N6O4
Exact Mass 506.188938 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GupId0bUEq6
Name 1-({4-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-5-methyl-3-isoxazolyl}carbonyl)-4-[3-(trifluoromethyl)benzyl]piperazine
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/C23H25F3N6O4/c1-14-21(32(34)35)15(2)31(27-14)13-19-16(3)36-28-20(19)22(33)30-9-7-29(8-10-30)12-17-5-4-6-18(11-17)23(24,25)26/h4-6,11H,7-10,12-13H2,1-3H3
InChIKey XXOGLYKVQHGOBT-UHFFFAOYSA-N
NMR Offset 17.9118
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_32996
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: 1911871; SBI_ID: SBI-033000
Temperature 303 °C