SpectraBase Spectrum ID |
CQgpsYBiYIt |
Name |
3-[2'-(4'',4'',4''-Trifluoro-3"-hydroxybutyl]-[1,3]dithiane-2'-yl]acrylic acid |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C11H15F3O3S2 |
InChI |
InChI=1S/C11H15F3O3S2/c12-11(13,14)8(15)2-4-10(5-3-9(16)17)18-6-1-7-19-10/h3,5,8,15H,1-2,4,6-7H2,(H,16,17)/b5-3+ |
InChIKey |
XHAJLDPUEVEBRM-HWKANZROSA-N |
Molecular Weight |
316.353 g/mol |
SMILES |
OC(\C=C\C1(CCC(C(F)(F)F)O)SCCCS1)=O |
SPLASH |
splash10-0aba-9610000000-cfc045d2b50a9f74485b |
Source of Spectrum |
U1-1999-2538-9 |
Synonyms |
(2E)-3-[2-(4,4,4-trifluoro-3-hydroxybutyl)-1,3-dithian-2-yl]-2-propenoic acid |
Wiley ID |
752186 |