| SpectraBase Spectrum ID |
5YZBRp8wlUY |
| Name |
3,3,3-Trifluoro-2-phenyl-thiopropionic acid S-(3-mercapto-propyl) ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H13F3OS2 |
| InChI |
InChI=1S/C12H13F3OS2/c13-12(14,15)10(9-5-2-1-3-6-9)11(16)18-8-4-7-17/h1-3,5-6,10,17H,4,7-8H2 |
| InChIKey |
BHVRIIZIZKHPAD-UHFFFAOYSA-N |
| Molecular Weight |
294.350 g/mol |
| SMILES |
SCCCSC(C(C(F)(F)F)c1ccccc1)=O |
| SPLASH |
splash10-0a4i-0920000000-ca5f6214ba961a67a31e |
| Source of Spectrum |
SO-0-966-4 |
| Synonyms |
3-Mercaptopropyl 2-(trifluoromethyl)-2-phenylethanoic acid S-ester
S-(3-sulfanylpropyl) 3,3,3-trifluoro-2-phenylpropanethioate |
| Wiley ID |
1543626 |
