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4-{5-[4-(2-chloro-5,6-difluoro-3-methylbenzoyl)-1-piperazinyl]-2-fluoro-4-nitrophenyl}morpholine
SpectraBase Compound ID 9VH2EhLTn0X
InChI InChI=1S/C22H22ClF3N4O4/c1-13-10-15(25)21(26)19(20(13)23)22(31)29-4-2-27(3-5-29)17-12-16(28-6-8-34-9-7-28)14(24)11-18(17)30(32)33/h10-12H,2-9H2,1H3
InChIKey QOYLRHAJOMMWGI-UHFFFAOYSA-N
Mol Weight 498.89 g/mol
Molecular Formula C22H22ClF3N4O4
Exact Mass 498.128167 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 18CxpgWPmkE
Name 4-{5-[4-(2-chloro-5,6-difluoro-3-methylbenzoyl)-1-piperazinyl]-2-fluoro-4-nitrophenyl}morpholine
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/C22H22ClF3N4O4/c1-13-10-15(25)21(26)19(20(13)23)22(31)29-4-2-27(3-5-29)17-12-16(28-6-8-34-9-7-28)14(24)11-18(17)30(32)33/h10-12H,2-9H2,1H3
InChIKey QOYLRHAJOMMWGI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5222
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: NMR/11211159; Labnumber: LIP-0001648; IOH_ID: IOH-005223