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1-(5-bromo-2-fluorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolinium chloride

View entire compound with spectra: 2 NMR

1-(5-bromo-2-fluorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolinium chloride
SpectraBase Compound ID 8BeNkVolFhn
InChI InChI=1S/C17H17BrFNO2.ClH/c1-21-15-7-10-5-6-20-17(12(10)9-16(15)22-2)13-8-11(18)3-4-14(13)19;/h3-4,7-9,17,20H,5-6H2,1-2H3;1H
InChIKey UONTYOKGGXCGFA-UHFFFAOYSA-N
Mol Weight 402.69 g/mol
Molecular Formula C17H18BrClFNO2
Exact Mass 401.019348 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cl63QI9DlhB
Name isoquinolinium, 1-(5-bromo-2-fluorophenyl)-1,2,3,4-tetrahydro-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 401.019347685 u
Formula C17H18BrClFNO2
InChI InChI=1S/C17H17BrFNO2.ClH/c1-21-15-7-10-5-6-20-17(12(10)9-16(15)22-2)13-8-11(18)3-4-14(13)19;/h3-4,7-9,17,20H,5-6H2,1-2H3;1H
InChIKey UONTYOKGGXCGFA-UHFFFAOYSA-N
Molecular Weight 402.691 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5204
Solvent DMSO-d6
Source Vendor ID: NMR/10222577; Lab Info: GRI; Lab Number: GRI-0000014