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1-(chloromethyl)-3,3-diethyl-6,7-dimethoxy-3,4-dihydroisoquinolinium chloride
SpectraBase Compound ID 3SiYaRPySLR
InChI InChI=1S/C16H22ClNO2.ClH/c1-5-16(6-2)9-11-7-14(19-3)15(20-4)8-12(11)13(10-17)18-16;/h7-8H,5-6,9-10H2,1-4H3;1H
InChIKey IBVJLEUAERAVIL-UHFFFAOYSA-N
Mol Weight 332.27 g/mol
Molecular Formula C16H23Cl2NO2
Exact Mass 331.110584 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2UUjriarRxb
Name isoquinolinium, 1-(chloromethyl)-3,3-diethyl-3,4-dihydro-6,7-dimethoxy-, 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 331.110584383 u
Formula C16H23Cl2NO2
InChI InChI=1S/C16H22ClNO2.ClH/c1-5-16(6-2)9-11-7-14(19-3)15(20-4)8-12(11)13(10-17)18-16;/h7-8H,5-6,9-10H2,1-4H3;1H
InChIKey IBVJLEUAERAVIL-UHFFFAOYSA-N
Molecular Weight 332.271 g/mol
NMR Offset 14.8478
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6886
Solvent DMSO-d6
Source Vendor ID: NMR/9321146; Lab Info: AJM; Lab Number: AJM-PeMi018
Temperature 23.85 °C