SpectraBase Spectrum ID |
4umIY5lu6Qb |
Name |
3-thiophenecarboxylic acid, 2-[[4-(2,4-dichlorophenoxy)-1-oxobutyl]amino]-5-[[(2,4-dimethylphenyl)amino]carbonyl]-4-methyl-, ethyl ester |
Copyright |
Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
562.109598579 u |
Formula |
C27H28Cl2N2O5S |
InChI |
InChI=1S/C27H28Cl2N2O5S/c1-5-35-27(34)23-17(4)24(25(33)30-20-10-8-15(2)13-16(20)3)37-26(23)31-22(32)7-6-12-36-21-11-9-18(28)14-19(21)29/h8-11,13-14H,5-7,12H2,1-4H3,(H,30,33)(H,31,32) |
InChIKey |
ODRPIGMWAPEFCN-UHFFFAOYSA-N |
Molecular Weight |
563.496 g/mol |
NMR Offset |
18.0059 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_6771 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/10220411; Lab Info: SAS; Lab Number: SAS-tst3405 |
Temperature |
29.85 °C |