| SpectraBase Spectrum ID |
HkNkIBJvgoA |
| Name |
2-[(trifluoromethyl)thio]-3-(2-iodophenyl)propanoic acid ethyl ester |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
403.955480287 u |
| Formula |
C12H12F3IO2S |
| InChI |
InChI=1S/C12H12F3IO2S/c1-2-18-11(17)10(19-12(13,14)15)7-8-5-3-4-6-9(8)16/h3-6,10H,2,7H2,1H3 |
| InChIKey |
LTNPZJXUDPWEQO-UHFFFAOYSA-N |
| Instrument Name |
Varian Saturn 2100 T |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201602730 |
| Molecular Weight |
404.186 g/mol |
| Quality |
61 |
| Reported Formula |
C12H12F3O2SI |
| SMILES |
C(SC(C(=O)OCC)CC1=C(C=CC=C1)I)(F)(F)F |
| SPLASH |
splash10-00p0-0291000000-6e3727dda2e7c43ea2d1 |
| Source of Spectrum |
QE-22-SM23-2u (DOI: 10.1002/chem.201602730) |
| Wiley ID |
1905016 |
![2-[(trifluoromethyl)thio]-3-(2-iodophenyl)propanoic acid ethyl ester](/api/spectrum/HkNkIBJvgoA/structure.png?h=300&w=458 "2-[(trifluoromethyl)thio]-3-(2-iodophenyl)propanoic acid ethyl ester")
