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6,7-diethoxy-1-(2-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium 2,2,2-trifluoroacetate
SpectraBase Compound ID OSnTu1KNVA
InChI InChI=1S/C20H22F3NO2.C2HF3O2/c1-3-25-17-11-13-9-10-24-19(15(13)12-18(17)26-4-2)14-7-5-6-8-16(14)20(21,22)23;3-2(4,5)1(6)7/h5-8,11-12,19,24H,3-4,9-10H2,1-2H3;(H,6,7)
InChIKey ZZMCSQTVPOHSHK-UHFFFAOYSA-N
Mol Weight 479.42 g/mol
Molecular Formula C22H23F6NO4
Exact Mass 479.153127 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HkuZvHrq1VL
Name 6,7-diethoxy-1-(2-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium 2,2,2-trifluoroacetate
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 479.153127199 u
Formula C22H23F6NO4
InChI InChI=1S/C20H22F3NO2.C2HF3O2/c1-3-25-17-11-13-9-10-24-19(15(13)12-18(17)26-4-2)14-7-5-6-8-16(14)20(21,22)23;3-2(4,5)1(6)7/h5-8,11-12,19,24H,3-4,9-10H2,1-2H3;(H,6,7)
InChIKey ZZMCSQTVPOHSHK-UHFFFAOYSA-N
Molecular Weight 479.419 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14862
Solvent DMSO-d6
Source Vendor ID: NMR/10300786; Lab Info: GRI; Lab Number: GRI-0000040