SpectraBase Spectrum ID |
5cxxTcbBAXc |
Name |
3-thiophenecarboxylic acid, 2-[[[[1-(ethoxycarbonyl)-2,2,2-trifluoro-1-(2,2,2-trifluoroethoxy)ethyl]amino]carbonyl]amino]-4-ethyl-5-methyl-, methyl |
Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
494.094626518 u |
Formula |
C17H20F6N2O6S |
InChI |
InChI=1S/C17H20F6N2O6S/c1-5-9-8(3)32-11(10(9)12(26)29-4)24-14(28)25-16(17(21,22)23,13(27)30-6-2)31-7-15(18,19)20/h5-7H2,1-4H3,(H2,24,25,28) |
InChIKey |
UURDDNZPFZVJPG-UHFFFAOYSA-N |
Molecular Weight |
494.405 g/mol |
NMR Offset |
18.0059 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_6985 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/10220476; Lab Info: AU; Lab Number: AU-EC00983 |
Temperature |
23.85 °C |