| SpectraBase Spectrum ID |
AEAgKncvx4b |
| Name |
3-Mercaptopropyl 2-(trifluoromethyl)octanoic acid S-ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H21F3OS2 |
| InChI |
InChI=1S/C12H21F3OS2/c1-2-3-4-5-7-10(12(13,14)15)11(16)18-9-6-8-17/h10,17H,2-9H2,1H3 |
| InChIKey |
HGBBICGETWTBBX-UHFFFAOYSA-N |
| Molecular Weight |
302.414 g/mol |
| SMILES |
SCCCSC(C(C(F)(F)F)CCCCCC)=O |
| SPLASH |
splash10-0a4i-0901000000-53a55be25e829ab8d198 |
| Source of Spectrum |
SO-0-966-4 |
| Synonyms |
S-(3-sulfanylpropyl) 2-(trifluoromethyl)octanethioate |
| Wiley ID |
1543628 |
