SpectraBase Spectrum ID |
5XJMLOkMZE7 |
Name |
isoquinolinium, 1-(2-chloro-3,4-dimethoxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydro-, 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 |
427.131713749 u |
Formula |
C21H27Cl2NO4 |
InChI |
InChI=1S/C21H26ClNO4.ClH/c1-5-26-17-11-13-9-10-23-20(15(13)12-18(17)27-6-2)14-7-8-16(24-3)21(25-4)19(14)22;/h7-8,11-12,20,23H,5-6,9-10H2,1-4H3;1H |
InChIKey |
LBGXGLRFROPJGY-UHFFFAOYSA-N |
Molecular Weight |
428.356 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_16018 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/11230152; Lab Info: GRIN; Lab Number: GRIN-010309 |