| SpectraBase Spectrum ID |
8TqerYt2RoO |
| Name |
Benzo[B]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[(trifluoroacetyl)amino]-, ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
321.064648975 u |
| Formula |
C13H14F3NO3S |
| InChI |
InChI=1S/C13H14F3NO3S/c1-2-20-11(18)9-7-5-3-4-6-8(7)21-10(9)17-12(19)13(14,15)16/h2-6H2,1H3,(H,17,19) |
| InChIKey |
HLLYMVAOPJHCIP-UHFFFAOYSA-N |
| Molecular Weight |
321.314 g/mol |
| SMILES |
N(C(C(F)(F)F)=O)C1=C(C2=C(CCCC2)S1)C(=O)OCC |
![Benzo[B]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[(trifluoroacetyl)amino]-, ethyl ester](/api/spectrum/8TqerYt2RoO/structure.png?h=300&w=458 "Benzo[B]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[(trifluoroacetyl)amino]-, ethyl ester")
