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isoquinolinium, 1-(3-chloro-5-ethoxy-4-hydroxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydro-, chloride

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isoquinolinium, 1-(3-chloro-5-ethoxy-4-hydroxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydro-, chloride
SpectraBase Compound ID JYJHBmFlXdt
InChI InChI=1S/C21H26ClNO4.ClH/c1-4-25-17-10-13-7-8-23-20(15(13)12-18(17)26-5-2)14-9-16(22)21(24)19(11-14)27-6-3;/h9-12,20,23-24H,4-8H2,1-3H3;1H
InChIKey TZQMNNBDOBLEOC-UHFFFAOYSA-N
Mol Weight 428.36 g/mol
Molecular Formula C21H27Cl2NO4
Exact Mass 427.131714 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A4SX4qZmbz6
Name isoquinolinium, 1-(3-chloro-5-ethoxy-4-hydroxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydro-, chloride
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.131713749 u
Formula C21H27Cl2NO4
InChI InChI=1S/C21H26ClNO4.ClH/c1-4-25-17-10-13-7-8-23-20(15(13)12-18(17)26-5-2)14-9-16(22)21(24)19(11-14)27-6-3;/h9-12,20,23-24H,4-8H2,1-3H3;1H
InChIKey TZQMNNBDOBLEOC-UHFFFAOYSA-N
Molecular Weight 428.356 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14604
Solvent DMSO-d6
Source Vendor ID: NMR/10310589; Lab Info: SAD; Lab Number: 49