| SpectraBase Spectrum ID |
LK0SSiEAQWN |
| Name |
benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[3-(trifluoromethyl)benzoyl]amino]-, 1-methylethyl 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 |
411.111599168 u |
| Formula |
C20H20F3NO3S |
| InChI |
InChI=1S/C20H20F3NO3S/c1-11(2)27-19(26)16-14-8-3-4-9-15(14)28-18(16)24-17(25)12-6-5-7-13(10-12)20(21,22)23/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,24,25) |
| InChIKey |
NBTQNAKXGIXIAP-UHFFFAOYSA-N |
| Molecular Weight |
411.439 g/mol |
| NMR Offset |
17.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_5324 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/9233878; Lab Info: PNA; Lab Number: PNA-NA00142 |
![benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[3-(trifluoromethyl)benzoyl]amino]-, 1-methylethyl ester](/api/spectrum/LK0SSiEAQWN/structure.png?h=300&w=458 "benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[[3-(trifluoromethyl)benzoyl]amino]-, 1-methylethyl ester")
