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1-{[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine
SpectraBase Compound ID 94TvdaTgu7M
InChI InChI=1S/C22H18ClF4N3O2/c1-13-18(20(28-32-13)19-16(23)6-3-7-17(19)24)21(31)30-10-8-29(9-11-30)15-5-2-4-14(12-15)22(25,26)27/h2-7,12H,8-11H2,1H3
InChIKey JSJCKXKXBWFDRU-UHFFFAOYSA-N
Mol Weight 467.85 g/mol
Molecular Formula C22H18ClF4N3O2
Exact Mass 467.102367 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EF5cgyCJy37
Name 1-{[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-4-[3-(trifluoromethyl)phenyl]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/C22H18ClF4N3O2/c1-13-18(20(28-32-13)19-16(23)6-3-7-17(19)24)21(31)30-10-8-29(9-11-30)15-5-2-4-14(12-15)22(25,26)27/h2-7,12H,8-11H2,1H3
InChIKey JSJCKXKXBWFDRU-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_7015
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: 124004; Labnumber: GORS-1177; VK_ID: VK-007019
Temperature 308 °C