| SpectraBase Spectrum ID |
BnDgjCXjwsj |
| Name |
cycloocta[b]thiophene-3-carboxylic acid, 4,5,6,7,8,9-hexahydro-2-[[3-(trifluoromethyl)benzoyl]amino]-, methyl ester |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
411.111599168 u |
| Formula |
C20H20F3NO3S |
| InChI |
InChI=1S/C20H20F3NO3S/c1-27-19(26)16-14-9-4-2-3-5-10-15(14)28-18(16)24-17(25)12-7-6-8-13(11-12)20(21,22)23/h6-8,11H,2-5,9-10H2,1H3,(H,24,25) |
| InChIKey |
HOHVSUTYABGLIK-UHFFFAOYSA-N |
| Molecular Weight |
411.439 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_1343 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: NMR/8316533; Lab Info: PNA; Lab Number: PNA-0006797 |
![cycloocta[b]thiophene-3-carboxylic acid, 4,5,6,7,8,9-hexahydro-2-[[3-(trifluoromethyl)benzoyl]amino]-, methyl ester](/api/spectrum/BnDgjCXjwsj/structure.png?h=300&w=458 "cycloocta[b]thiophene-3-carboxylic acid, 4,5,6,7,8,9-hexahydro-2-[[3-(trifluoromethyl)benzoyl]amino]-, methyl ester")
