| SpectraBase Spectrum ID |
AUsAP6CdenE |
| Name |
(2S,3S)-2-Chloro-2-trifluoromethyl-[1,4]oxathiane-3-carboxylic acid ethyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H10ClF3O3S |
| InChI |
InChI=1S/C8H10ClF3O3S/c1-2-14-6(13)5-7(9,8(10,11)12)15-3-4-16-5/h5H,2-4H2,1H3/t5-,7-/m0/s1 |
| InChIKey |
ZJVNGSNCLIXTQN-FSPLSTOPSA-N |
| Molecular Weight |
278.673 g/mol |
| SMILES |
[C@@]1([C@](C(=O)OCC)(SCCO1)[H])(C(F)(F)F)Cl |
| SPLASH |
splash10-0a6r-0090000000-8621853c2be8f8a9707f |
| Source of Spectrum |
H1-48-2258-12 |
| Synonyms |
cis(2SR,3SR)-Ethyl 2,3,5,6-tetrahydro-2-chloro-2-trifluoromethyl-1,4-oxathiin-3-carboxylate
ethyl (2S,3S)-2-chloro-2-(trifluoromethyl)-1,4-oxathiane-3-carboxylate |
| Wiley ID |
816638 |
![(2S,3S)-2-Chloro-2-trifluoromethyl-[1,4]oxathiane-3-carboxylic acid ethyl ester](/api/spectrum/AUsAP6CdenE/structure.png?h=300&w=458 "(2S,3S)-2-Chloro-2-trifluoromethyl-[1,4]oxathiane-3-carboxylic acid ethyl ester")
