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isoquinolinium, 1-[2-(difluoromethoxy)phenyl]-6,7-diethoxy-1,2,3,4-tetrahydro-, chloride
SpectraBase Compound ID BexyQGooLIy
InChI InChI=1S/C20H23F2NO3.ClH/c1-3-24-17-11-13-9-10-23-19(15(13)12-18(17)25-4-2)14-7-5-6-8-16(14)26-20(21)22;/h5-8,11-12,19-20,23H,3-4,9-10H2,1-2H3;1H
InChIKey WNIRPDWJWUDGDD-UHFFFAOYSA-N
Mol Weight 399.87 g/mol
Molecular Formula C20H24ClF2NO3
Exact Mass 399.141278 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HzOJu3H08KI
Name isoquinolinium, 1-[2-(difluoromethoxy)phenyl]-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 399.141277660 u
Formula C20H24ClF2NO3
InChI InChI=1S/C20H23F2NO3.ClH/c1-3-24-17-11-13-9-10-23-19(15(13)12-18(17)25-4-2)14-7-5-6-8-16(14)26-20(21)22;/h5-8,11-12,19-20,23H,3-4,9-10H2,1-2H3;1H
InChIKey WNIRPDWJWUDGDD-UHFFFAOYSA-N
Molecular Weight 399.866 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16017
Solvent DMSO-d6
Source Vendor ID: NMR/11230151; Lab Info: GRIN; Lab Number: GRIN-010308