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isoquinolinium, 6,7-diethoxy-1,2,3,4-tetrahydro-1-[4-(trifluoromethoxy)phenyl]-, chloride

View entire compound with spectra: 1 NMR

isoquinolinium, 6,7-diethoxy-1,2,3,4-tetrahydro-1-[4-(trifluoromethoxy)phenyl]-, chloride
SpectraBase Compound ID B75N7TS1hFf
InChI InChI=1S/C20H22F3NO3.ClH/c1-3-25-17-11-14-9-10-24-19(16(14)12-18(17)26-4-2)13-5-7-15(8-6-13)27-20(21,22)23;/h5-8,11-12,19,24H,3-4,9-10H2,1-2H3;1H
InChIKey GQVUTFRHKPCGHI-UHFFFAOYSA-N
Mol Weight 417.86 g/mol
Molecular Formula C20H23ClF3NO3
Exact Mass 417.131856 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FqsQxHoJsNp
Name isoquinolinium, 6,7-diethoxy-1,2,3,4-tetrahydro-1-[4-(trifluoromethoxy)phenyl]-, chloride
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.131855791 u
Formula C20H23ClF3NO3
InChI InChI=1S/C20H22F3NO3.ClH/c1-3-25-17-11-14-9-10-24-19(16(14)12-18(17)26-4-2)13-5-7-15(8-6-13)27-20(21,22)23;/h5-8,11-12,19,24H,3-4,9-10H2,1-2H3;1H
InChIKey GQVUTFRHKPCGHI-UHFFFAOYSA-N
Molecular Weight 417.856 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14735
Solvent DMSO-d6
Source Vendor ID: NMR/10300809; Lab Info: GRI; Lab Number: GRI-0000070