| SpectraBase Spectrum ID |
CMjKs1QaqDX |
| Name |
Acetic acid, trifluoro-, 1-[[(phenylmethyl)thio]methyl]heptyl ester |
| CAS Registry Number |
80437-08-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H23F3O2S |
| InChI |
InChI=1S/C17H23F3O2S/c1-2-3-4-8-11-15(22-16(21)17(18,19)20)13-23-12-14-9-6-5-7-10-14/h5-7,9-10,15H,2-4,8,11-13H2,1H3 |
| InChIKey |
BITZIPYHMMMTNL-UHFFFAOYSA-N |
| Molecular Weight |
348.424 g/mol |
| SMILES |
C(C(OC(CSCc1ccccc1)CCCCCC)=O)(F)(F)F |
| SPLASH |
splash10-0006-9000000000-8c2ed64083f3208128e6 |
| Source of Spectrum |
KC-1985-1042-10 |
| Synonyms |
1-Benzylthio-2-trifluoroacetoxyoctane
1-[(benzylsulfanyl)methyl]heptyl trifluoroacetate |
| Wiley ID |
1340465 |
![Acetic acid, trifluoro-, 1-[[(phenylmethyl)thio]methyl]heptyl ester](/api/spectrum/CMjKs1QaqDX/structure.png?h=300&w=458 "Acetic acid, trifluoro-, 1-[[(phenylmethyl)thio]methyl]heptyl ester")
