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piperazine, 1-[[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl]-4-(2-pyridinylmethyl)-
SpectraBase Compound ID 8ktfvzf5GUb
InChI InChI=1S/C20H20ClFN4O2/c21-15-5-3-6-16(22)19(15)17-12-18(28-24-17)20(27)26-10-8-25(9-11-26)13-14-4-1-2-7-23-14/h1-7,18H,8-13H2
InChIKey PPVPSMUVURUGCE-UHFFFAOYSA-N
Mol Weight 402.86 g/mol
Molecular Formula C20H20ClFN4O2
Exact Mass 402.125882 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D0ECJjxx8zz
Name piperazine, 1-[[3-(2-chloro-6-fluorophenyl)-4,5-dihydro-5-isoxazolyl]carbonyl]-4-(2-pyridinylmethyl)-
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/C20H20ClFN4O2/c21-15-5-3-6-16(22)19(15)17-12-18(28-24-17)20(27)26-10-8-25(9-11-26)13-14-4-1-2-7-23-14/h1-7,18H,8-13H2
InChIKey PPVPSMUVURUGCE-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_22225
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: 2181042; UZI_ID: UZI-022233
Temperature 308 °C