SpectraBase Spectrum ID |
7krB52A7BYQ |
Name |
3-thiophenecarboxylic acid, 2-[[(4-chlorophenyl)acetyl]amino]-5-[[(2,4-dimethoxyphenyl)amino]carbonyl]-4-methyl-, 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 |
516.112185401 u |
Formula |
C25H25ClN2O6S |
InChI |
InChI=1S/C25H25ClN2O6S/c1-5-34-25(31)21-14(2)22(23(30)27-18-11-10-17(32-3)13-19(18)33-4)35-24(21)28-20(29)12-15-6-8-16(26)9-7-15/h6-11,13H,5,12H2,1-4H3,(H,27,30)(H,28,29) |
InChIKey |
RSEOFHYBWKKNSF-UHFFFAOYSA-N |
Molecular Weight |
516.996 g/mol |
NMR Offset |
18.0059 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_8103 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/9301588; Lab Info: SAS; Lab Number: SAS-tst3046 |
Temperature |
29.85 °C |