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piperidinium, 1-[[3-(2,4-dichlorophenyl)-7-hydroxy-4-oxo-4H-1-benzopyran-8-yl]methyl]-4-methyl-, chloride
SpectraBase Compound ID EjoMre8pRdz
InChI InChI=1S/C22H21Cl2NO3.ClH/c1-13-6-8-25(9-7-13)11-17-20(26)5-4-16-21(27)18(12-28-22(16)17)15-3-2-14(23)10-19(15)24;/h2-5,10,12-13,26H,6-9,11H2,1H3;1H
InChIKey SMQZNFBFIWDEDJ-UHFFFAOYSA-N
Mol Weight 454.78 g/mol
Molecular Formula C22H22Cl3NO3
Exact Mass 453.066527 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IbCMvBEetlW
Name piperidinium, 1-[[3-(2,4-dichlorophenyl)-7-hydroxy-4-oxo-4H-1-benzopyran-8-yl]methyl]-4-methyl-, chloride
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/C22H21Cl2NO3.ClH/c1-13-6-8-25(9-7-13)11-17-20(26)5-4-16-21(27)18(12-28-22(16)17)15-3-2-14(23)10-19(15)24;/h2-5,10,12-13,26H,6-9,11H2,1H3;1H
InChIKey SMQZNFBFIWDEDJ-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_3394
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/10238387