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N-[3-((1E)-N-{[1-(2-chloro-4-fluorobenzyl)-4-piperidinyl]carbonyl}ethanehydrazonoyl)phenyl]isonicotinamide
SpectraBase Compound ID 9D01NQc4lRX
InChI InChI=1S/C27H27ClFN5O2/c1-18(21-3-2-4-24(15-21)31-26(35)19-7-11-30-12-8-19)32-33-27(36)20-9-13-34(14-10-20)17-22-5-6-23(29)16-25(22)28/h2-8,11-12,15-16,20H,9-10,13-14,17H2,1H3,(H,31,35)(H,33,36)/b32-18+
InChIKey FHHGWNSBAWMEDT-KCSSXMTESA-N
Mol Weight 508.0 g/mol
Molecular Formula C27H27ClFN5O2
Exact Mass 507.183731 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6me4akTviBc
Name N-[3-((1E)-N-{[1-(2-chloro-4-fluorobenzyl)-4-piperidinyl]carbonyl}ethanehydrazonoyl)phenyl]isonicotinamide
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/C27H27ClFN5O2/c1-18(21-3-2-4-24(15-21)31-26(35)19-7-11-30-12-8-19)32-33-27(36)20-9-13-34(14-10-20)17-22-5-6-23(29)16-25(22)28/h2-8,11-12,15-16,20H,9-10,13-14,17H2,1H3,(H,31,35)(H,33,36)/b32-18+
InChIKey FHHGWNSBAWMEDT-KCSSXMTESA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_4601
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/9137479; Labnumber: BHY_UKE/01396; UZI_ID: UZI-004603
Synonyms N-[3-(N-{[1-(2-chloro-4-fluorobenzyl)-4-piperidinyl]carbonyl}ethanehydrazonoyl)phenyl]isonicotinamide
Temperature 318 °C