SpectraBase Spectrum ID |
Dmx4syfaig |
Name |
ethyl 2-({[2-(methylsulfonyl)-1,2,3,4-tetrahydro-3-isoquinolinyl]carbonyl}amino)benzoate |
Copyright |
Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
402.124942985 u |
Formula |
C20H22N2O5S |
InChI |
InChI=1S/C20H22N2O5S/c1-3-27-20(24)16-10-6-7-11-17(16)21-19(23)18-12-14-8-4-5-9-15(14)13-22(18)28(2,25)26/h4-11,18H,3,12-13H2,1-2H3,(H,21,23) |
InChIKey |
QRLVSYGUHVWGII-UHFFFAOYSA-N |
Molecular Weight |
402.465 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2020_4296 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/12309145 |