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isoquinolinium, 1-(4-carboxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydro-,chloride

View entire compound with spectra: 1 NMR

isoquinolinium, 1-(4-carboxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydro-,chloride
SpectraBase Compound ID K0CCTiFxzPH
InChI InChI=1S/C20H23NO4.ClH/c1-3-24-17-11-15-9-10-21-19(16(15)12-18(17)25-4-2)13-5-7-14(8-6-13)20(22)23;/h5-8,11-12,19,21H,3-4,9-10H2,1-2H3,(H,22,23);1H
InChIKey XRTOXKAHLKOLAS-UHFFFAOYSA-N
Mol Weight 377.87 g/mol
Molecular Formula C20H24ClNO4
Exact Mass 377.139386 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2XnhXfKyBdC
Name isoquinolinium, 1-(4-carboxyphenyl)-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 377.139385953 u
Formula C20H24ClNO4
InChI InChI=1S/C20H23NO4.ClH/c1-3-24-17-11-15-9-10-21-19(16(15)12-18(17)25-4-2)13-5-7-14(8-6-13)20(22)23;/h5-8,11-12,19,21H,3-4,9-10H2,1-2H3,(H,22,23);1H
InChIKey XRTOXKAHLKOLAS-UHFFFAOYSA-N
Molecular Weight 377.868 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16086
Solvent DMSO-d6
Source Vendor ID: NMR/10300800; Lab Info: GRI; Lab Number: GRI-0000056