SpectraBase Spectrum ID |
2oZugoNMbfO |
Name |
benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[2,2,2-trifluoro-1-[(2-fluorobenzoyl)amino]-1-(trifluoromethyl)ethyl]amino]-, 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 |
498.084810727 u |
Formula |
C20H17F7N2O3S |
InChI |
InChI=1S/C20H17F7N2O3S/c1-32-17(31)14-11-7-3-5-9-13(11)33-16(14)29-18(19(22,23)24,20(25,26)27)28-15(30)10-6-2-4-8-12(10)21/h2,4,6,8,29H,3,5,7,9H2,1H3,(H,28,30) |
InChIKey |
YJBDRABVHYZHRQ-UHFFFAOYSA-N |
Molecular Weight |
498.416 g/mol |
NMR Offset |
18.0059 |
NMR Spectrometer Frequency |
300.135 |
Observed nucleus |
1H |
Sample State |
Soluted |
Sample_ID |
1H_CB_2017_4008 |
Solvent |
DMSO-d6 |
Source |
Vendor ID: NMR/9233263; Lab Info: AU; Lab Number: AU-0000669 |
Temperature |
29.85 °C |