| SpectraBase Spectrum ID |
DOMI91LwEcp |
| Name |
2-Hydroxy-3-trifluoroacetyl-2-trifluoromethyl-(1H,5)benzthiazepine |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H7F6NO2S |
| InChI |
InChI=1S/C12H7F6NO2S/c13-11(14,15)9(20)6-5-19-7-3-1-2-4-8(7)22-10(6,21)12(16,17)18/h1-5,19,21H |
| InChIKey |
PGFVTJIPOIPWRQ-UHFFFAOYSA-N |
| Molecular Weight |
343.243 g/mol |
| SMILES |
N1c2c(SC(C(C(C(F)(F)F)=O)=C1)(C(F)(F)F)O)cccc2 |
| SPLASH |
splash10-00dl-0094000000-6e94d1178cb76df0c911 |
| Source of Spectrum |
F-53-5853-14 |
| Synonyms |
2,2,2-trifluoro-1-[2-hydroxy-2-(trifluoromethyl)-2,5-dihydro-1,5-benzothiazepin-3-yl]ethanone |
| Wiley ID |
801770 |
