| SpectraBase Spectrum ID |
3BnNqXbjfSz |
| Name |
Heptanethioic acid, 2-fluoro-, S-phenyl ester |
| CAS Registry Number |
132364-67-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H17FOS |
| InChI |
InChI=1S/C13H17FOS/c1-2-3-5-10-12(14)13(15)16-11-8-6-4-7-9-11/h4,6-9,12H,2-3,5,10H2,1H3 |
| InChIKey |
DTFPSAACZVIENE-UHFFFAOYSA-N |
| Molecular Weight |
240.336 g/mol |
| SMILES |
C(Sc1ccccc1)(=O)C(F)CCCCC |
| SPLASH |
splash10-08fu-0940000000-c2655f906deeb1d3e91f |
| Source of Spectrum |
F-46-7440-8 |
| Synonyms |
S-phenyl 2-fluoro(thioheptanoate)
S-phenyl 2-fluoroheptanethioate |
| Wiley ID |
1242813 |
