SpectraBase Spectrum ID |
FYdWxtkmLnh |
Name |
benzoic acid, 4-[[[(2Z)-2-[[4-(chlorodifluoromethoxy)phenyl]imino]-3-ethyltetrahydro-4-oxo-2H-1,3-thiazin-6-yl]carbonyl]amino]-, methyl ester |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
511.078025951 u |
Formula |
C22H20ClF2N3O5S |
InChI |
InChI=1S/C22H20ClF2N3O5S/c1-3-28-18(29)12-17(19(30)26-14-6-4-13(5-7-14)20(31)32-2)34-21(28)27-15-8-10-16(11-9-15)33-22(23,24)25/h4-11,17H,3,12H2,1-2H3,(H,26,30)/b27-21- |
InChIKey |
DRMZSSVRQQCWTF-MEFGMAGPSA-N |
Molecular Weight |
511.928 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_12929 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/10215692; Lab Info: PE; Lab Number: NMR/9296072 |