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isoquinolinium, 1-[1,1'-biphenyl]-4-yl-6,7-diethoxy-1,2,3,4-tetrahydro-, chloride
SpectraBase Compound ID 8lGFHASvZ1Z
InChI InChI=1S/C25H27NO2.ClH/c1-3-27-23-16-21-14-15-26-25(22(21)17-24(23)28-4-2)20-12-10-19(11-13-20)18-8-6-5-7-9-18;/h5-13,16-17,25-26H,3-4,14-15H2,1-2H3;1H
InChIKey KAFIXFMBLXLUGO-UHFFFAOYSA-N
Mol Weight 409.96 g/mol
Molecular Formula C25H28ClNO2
Exact Mass 409.180857 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 60p2RUtx6BZ
Name isoquinolinium, 1-[1,1'-biphenyl]-4-yl-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 409.180856844 u
Formula C25H28ClNO2
InChI InChI=1S/C25H27NO2.ClH/c1-3-27-23-16-21-14-15-26-25(22(21)17-24(23)28-4-2)20-12-10-19(11-13-20)18-8-6-5-7-9-18;/h5-13,16-17,25-26H,3-4,14-15H2,1-2H3;1H
InChIKey KAFIXFMBLXLUGO-UHFFFAOYSA-N
Molecular Weight 409.957 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14857
Solvent DMSO-d6
Source Vendor ID: NMR/10300767; Lab Info: GRI; Lab Number: GRI-0000021