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

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isoquinolinium, 6,7-diethoxy-1,2,3,4-tetrahydro-1-(3-phenoxyphenyl)-,chloride
SpectraBase Compound ID 8zojxbsT3O2
InChI InChI=1S/C25H27NO3.ClH/c1-3-27-23-16-18-13-14-26-25(22(18)17-24(23)28-4-2)19-9-8-12-21(15-19)29-20-10-6-5-7-11-20;/h5-12,15-17,25-26H,3-4,13-14H2,1-2H3;1H
InChIKey LPFSFBOLMJYELO-UHFFFAOYSA-N
Mol Weight 425.96 g/mol
Molecular Formula C25H28ClNO3
Exact Mass 425.175771 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KrgAidWUXkd
Name isoquinolinium, 6,7-diethoxy-1,2,3,4-tetrahydro-1-(3-phenoxyphenyl)-,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 425.175771463 u
Formula C25H28ClNO3
InChI InChI=1S/C25H27NO3.ClH/c1-3-27-23-16-18-13-14-26-25(22(18)17-24(23)28-4-2)19-9-8-12-21(15-19)29-20-10-6-5-7-11-20;/h5-12,15-17,25-26H,3-4,13-14H2,1-2H3;1H
InChIKey LPFSFBOLMJYELO-UHFFFAOYSA-N
Molecular Weight 425.956 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15056
Solvent DMSO-d6
Source Vendor ID: NMR/10300775; Lab Info: GRI; Lab Number: GRI-0000029