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isoquinolinium, 6,7-diethoxy-1,2,3,4-tetrahydro-1-(4-hydroxy-3,5-dimethylphenyl)-, chloride
SpectraBase Compound ID A2ZFShJTccF
InChI InChI=1S/C21H27NO3.ClH/c1-5-24-18-11-15-7-8-22-20(17(15)12-19(18)25-6-2)16-9-13(3)21(23)14(4)10-16;/h9-12,20,22-23H,5-8H2,1-4H3;1H
InChIKey ZTVOCRZCGDOIQC-UHFFFAOYSA-N
Mol Weight 377.91 g/mol
Molecular Formula C21H28ClNO3
Exact Mass 377.175771 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3T3J1TwJuit
Name isoquinolinium, 6,7-diethoxy-1,2,3,4-tetrahydro-1-(4-hydroxy-3,5-dimethylphenyl)-, 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 377.175771463 u
Formula C21H28ClNO3
InChI InChI=1S/C21H27NO3.ClH/c1-5-24-18-11-15-7-8-22-20(17(15)12-19(18)25-6-2)16-9-13(3)21(23)14(4)10-16;/h9-12,20,22-23H,5-8H2,1-4H3;1H
InChIKey ZTVOCRZCGDOIQC-UHFFFAOYSA-N
Molecular Weight 377.912 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16113
Solvent DMSO-d6
Source Vendor ID: NMR/11250490; Lab Info: GRI; Lab Number: GRI-0104127