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1-{[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-4-(2-furoyl)piperazine
SpectraBase Compound ID AoIAZePeDhn
InChI InChI=1S/C16H16ClF3N4O3/c1-10-13(17)14(16(18,19)20)21-24(10)9-12(25)22-4-6-23(7-5-22)15(26)11-3-2-8-27-11/h2-3,8H,4-7,9H2,1H3
InChIKey UKGUAGDEAGOVMN-UHFFFAOYSA-N
Mol Weight 404.78 g/mol
Molecular Formula C16H16ClF3N4O3
Exact Mass 404.086303 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9GZsopyTwLq
Name 1-{[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-4-(2-furoyl)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/C16H16ClF3N4O3/c1-10-13(17)14(16(18,19)20)21-24(10)9-12(25)22-4-6-23(7-5-22)15(26)11-3-2-8-27-11/h2-3,8H,4-7,9H2,1H3
InChIKey UKGUAGDEAGOVMN-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_1424
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/1251815; Labnumber: AC-NHALL/1328328; UZI_ID: UZI-001426
Temperature 306 °C