| SpectraBase Spectrum ID |
DtPgZ6E4rev |
| Name |
(3S)-2-[(trifluoromethyl)thio]-3-methylpentanoic acid benzyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.090135448 u |
| Formula |
C14H17F3O2S |
| InChI |
InChI=1S/C14H17F3O2S/c1-3-10(2)12(20-14(15,16)17)13(18)19-9-11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3/t10-,12?/m0/s1 |
| InChIKey |
PMWSCLBFOWJNBU-NUHJPDEHSA-N |
| Instrument Name |
Varian Saturn 2100 T |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201602730 |
| Molecular Weight |
306.343 g/mol |
| Quality |
171 |
| SMILES |
C(SC(C(=O)OCC1=CC=CC=C1)[C@](CC)(C)[H])(F)(F)F |
| SPLASH |
splash10-0006-9200000000-370983f12d9843a412b9 |
| Source of Spectrum |
QE-22-SM19-2h (DOI: 10.1002/chem.201602730) |
| Wiley ID |
1905003 |
![(3S)-2-[(trifluoromethyl)thio]-3-methylpentanoic acid benzyl ester](/api/spectrum/DtPgZ6E4rev/structure.png?h=300&w=458 "(3S)-2-[(trifluoromethyl)thio]-3-methylpentanoic acid benzyl ester")
