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 |