SpectraBase Spectrum ID |
3rCn7WxwXVs |
Name |
carbamimidothioic acid, N-[4-(chlorodifluoromethoxy)phenyl]-N'-[(Z)-ethyl]-, 1-(4-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl 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 |
471.063124779 u |
Formula |
C20H17ClF3N3O3S |
InChI |
InChI=1S/C20H17ClF3N3O3S/c1-2-25-19(26-13-5-9-15(10-6-13)30-20(21,23)24)31-16-11-17(28)27(18(16)29)14-7-3-12(22)4-8-14/h3-10,16H,2,11H2,1H3,(H,25,26) |
InChIKey |
PXUVRUXDSOAIRM-UHFFFAOYSA-N |
Molecular Weight |
471.882 g/mol |
NMR Offset |
16.0087 |
NMR Spectrometer Frequency |
500.133 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_4440 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/9296065; Lab Info: PE; Lab Number: PE/9041573 |