| SpectraBase Spectrum ID |
5jHaSOhL6m5 |
| Name |
3-Mercaptopropyl 2-(Trifluoromethyl)butanoic acid S-ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H13F3OS2 |
| InChI |
InChI=1S/C8H13F3OS2/c1-2-6(8(9,10)11)7(12)14-5-3-4-13/h6,13H,2-5H2,1H3 |
| InChIKey |
FBWWSMKDLLDBJU-UHFFFAOYSA-N |
| Molecular Weight |
246.306 g/mol |
| SMILES |
SCCCSC(C(C(F)(F)F)CC)=O |
| SPLASH |
splash10-0a4i-0910000000-55d751da726da22f6912 |
| Source of Spectrum |
SO-0-966-4 |
| Synonyms |
S-(3-sulfanylpropyl) 2-(trifluoromethyl)butanethioate |
| Wiley ID |
1543629 |
