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cyclohexanecarboxamide, 4-(octahydro-1,3-dioxo-2H-isoindol-2-yl)-N-[4-(4-pyridinylmethyl)phenyl]-
SpectraBase Compound ID HLqwXmcjYPH
InChI InChI=1S/C27H31N3O3/c31-25(29-21-9-5-18(6-10-21)17-19-13-15-28-16-14-19)20-7-11-22(12-8-20)30-26(32)23-3-1-2-4-24(23)27(30)33/h5-6,9-10,13-16,20,22-24H,1-4,7-8,11-12,17H2,(H,29,31)
InChIKey KTAZNXMOTFHTMF-UHFFFAOYSA-N
Mol Weight 445.56 g/mol
Molecular Formula C27H31N3O3
Exact Mass 445.236542 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LYrLKg2YzHU
Name cyclohexanecarboxamide, 4-(octahydro-1,3-dioxo-2H-isoindol-2-yl)-N-[4-(4-pyridinylmethyl)phenyl]-
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/C27H31N3O3/c31-25(29-21-9-5-18(6-10-21)17-19-13-15-28-16-14-19)20-7-11-22(12-8-20)30-26(32)23-3-1-2-4-24(23)27(30)33/h5-6,9-10,13-16,20,22-24H,1-4,7-8,11-12,17H2,(H,29,31)
InChIKey KTAZNXMOTFHTMF-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_8826
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/12259401