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Palmatine chloride hydrate

View entire compound with spectra: 2 NMR, and 1 FTIR

Palmatine chloride hydrate
SpectraBase Compound ID 67BlMhuU4gY
InChI InChI=1S/C21H22NO4.ClH.O/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4;;/h5-6,9-12H,7-8H2,1-4H3;1H;/q+1;;/p-1
InChIKey OQKQVBKJUKPXDM-UHFFFAOYSA-M
Mol Weight 403.86 g/mol
Molecular Formula C21H22ClNO5
Exact Mass 403.118651 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GMz4mS5u33D
Name Palmatine chloride hydrate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 361615
CAS Registry Number 171869-95-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22ClNO5
InChI InChI=1S/C21H22NO4.ClH.O/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4;;/h5-6,9-12H,7-8H2,1-4H3;1H;/q+1;;/p-1
InChIKey OQKQVBKJUKPXDM-UHFFFAOYSA-M
Observed nucleus 1H
Purity 97%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_007460