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isoquinolinium, 1-(2,5-dimethoxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydro-, chloride
SpectraBase Compound ID 4jSJEv6fmK2
InChI InChI=1S/C21H27NO4.ClH/c1-5-25-19-11-14-9-10-22-21(16(14)13-20(19)26-6-2)17-12-15(23-3)7-8-18(17)24-4;/h7-8,11-13,21-22H,5-6,9-10H2,1-4H3;1H
InChIKey BGUZPUYWBAVPNG-UHFFFAOYSA-N
Mol Weight 393.91 g/mol
Molecular Formula C21H28ClNO4
Exact Mass 393.170686 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F76h00ssOYv
Name isoquinolinium, 1-(2,5-dimethoxyphenyl)-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 393.170686082 u
Formula C21H28ClNO4
InChI InChI=1S/C21H27NO4.ClH/c1-5-25-19-11-14-9-10-22-21(16(14)13-20(19)26-6-2)17-12-15(23-3)7-8-18(17)24-4;/h7-8,11-13,21-22H,5-6,9-10H2,1-4H3;1H
InChIKey BGUZPUYWBAVPNG-UHFFFAOYSA-N
Molecular Weight 393.911 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14603
Solvent DMSO-d6
Source Vendor ID: NMR/10310565; Lab Info: SAD; Lab Number: 2