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phenol, 4-[(E)-[[4-[(2-chlorophenyl)methyl]-1-piperazinyl]imino]methyl]-2-methoxy-, acetate (ester)
SpectraBase Compound ID BtaYL2tBwxA
InChI InChI=1S/C21H24ClN3O3/c1-16(26)28-20-8-7-17(13-21(20)27-2)14-23-25-11-9-24(10-12-25)15-18-5-3-4-6-19(18)22/h3-8,13-14H,9-12,15H2,1-2H3/b23-14+
InChIKey MWLLHDXCLRCYOA-OEAKJJBVSA-N
Mol Weight 401.89 g/mol
Molecular Formula C21H24ClN3O3
Exact Mass 401.150619 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AluyiMiXOsk
Name phenol, 4-[(E)-[[4-[(2-chlorophenyl)methyl]-1-piperazinyl]imino]methyl]-2-methoxy-, acetate (ester)
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/C21H24ClN3O3/c1-16(26)28-20-8-7-17(13-21(20)27-2)14-23-25-11-9-24(10-12-25)15-18-5-3-4-6-19(18)22/h3-8,13-14H,9-12,15H2,1-2H3/b23-14+
InChIKey MWLLHDXCLRCYOA-OEAKJJBVSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_4828
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/10248328