SpectraBase Spectrum ID |
K3JowGS6YeJ |
Name |
3-thiophenecarboxylic acid, 4-methyl-5-phenyl-2-[[2,2,2-trifluoro-1-[(2-methoxybenzoyl)amino]-1-(methoxycarbonyl)ethyl]amino]-, 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 |
550.138542190 u |
Formula |
C26H25F3N2O6S |
InChI |
InChI=1S/C26H25F3N2O6S/c1-5-37-23(33)19-15(2)20(16-11-7-6-8-12-16)38-22(19)31-25(24(34)36-4,26(27,28)29)30-21(32)17-13-9-10-14-18(17)35-3/h6-14,31H,5H2,1-4H3,(H,30,32) |
InChIKey |
GGFWHWYOCLYXMT-UHFFFAOYSA-N |
Molecular Weight |
550.549 g/mol |
NMR Offset |
18.0068 |
NMR Spectrometer Frequency |
500.134 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_12216 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/10260729; Lab Info: AU; Lab Number: AU-0000056 |