| SpectraBase Spectrum ID |
3mCkdHYHYsS |
| Name |
5,6-Dihydro-2-trifluoromethyl-1,4-oxathiin-3-carboxylic acid |
| Alternate Name(s) |
6-(trifluoromethyl)-2,3-dihydro-1,4-oxathiin-5-carboxylic acid
6-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine-5-carboxylic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C6H5F3O3S |
| InChI |
InChI=1S/C6H5F3O3S/c7-6(8,9)4-3(5(10)11)13-2-1-12-4/h1-2H2,(H,10,11) |
| InChIKey |
BPQVDNIYZOYWOK-UHFFFAOYSA-N |
| Molecular Weight |
214.158 g/mol |
| SMILES |
OC(C1=C(OCCS1)C(F)(F)F)=O |
| SPLASH |
splash10-03dl-0590000000-92cb64668d8d94ebae9f |
| Source of Spectrum |
H1-48-2258-6 |
| Wiley ID |
816637 |
