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isoquinolinium, 6,7-diethoxy-1,2,3,4-tetrahydro-1-(4-hydroxy-3,5-dimethoxyphenyl)-, chloride
SpectraBase Compound ID JGMXKH2mfay
InChI InChI=1S/C21H27NO5.ClH/c1-5-26-16-9-13-7-8-22-20(15(13)12-17(16)27-6-2)14-10-18(24-3)21(23)19(11-14)25-4;/h9-12,20,22-23H,5-8H2,1-4H3;1H
InChIKey IAXLIBAMWFQDBL-UHFFFAOYSA-N
Mol Weight 409.91 g/mol
Molecular Formula C21H28ClNO5
Exact Mass 409.165601 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ETqjBzyxJNS
Name isoquinolinium, 6,7-diethoxy-1,2,3,4-tetrahydro-1-(4-hydroxy-3,5-dimethoxyphenyl)-, 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 409.165600701 u
Formula C21H28ClNO5
InChI InChI=1S/C21H27NO5.ClH/c1-5-26-16-9-13-7-8-22-20(15(13)12-17(16)27-6-2)14-10-18(24-3)21(23)19(11-14)25-4;/h9-12,20,22-23H,5-8H2,1-4H3;1H
InChIKey IAXLIBAMWFQDBL-UHFFFAOYSA-N
Molecular Weight 409.910 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16109
Solvent DMSO-d6
Source Vendor ID: NMR/10300776; Lab Info: GRI; Lab Number: GRI-0000030