SpectraBase Spectrum ID |
CKGJLZfC72L |
Name |
3-thiophenecarboxylic acid, 4-(3,4-dimethoxyphenyl)-2-[[(phenylamino)carbonothioyl]amino]-, ethyl 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 |
442.102099540 u |
Formula |
C22H22N2O4S2 |
InChI |
InChI=1S/C22H22N2O4S2/c1-4-28-21(25)19-16(14-10-11-17(26-2)18(12-14)27-3)13-30-20(19)24-22(29)23-15-8-6-5-7-9-15/h5-13H,4H2,1-3H3,(H2,23,24,29) |
InChIKey |
GIOKAVLXKDLOCR-UHFFFAOYSA-N |
Molecular Weight |
442.548 g/mol |
NMR Offset |
18.0059 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_1279 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: ZI/7073318; Lab Info: LP; Lab Number: LP-2179012 |
Temperature |
29.85 °C |