| SpectraBase Spectrum ID |
4rtimBh1hRR |
| Name |
2-[(trifluoromethyl)thio]-3-(2-pyridinyl)propanoic acid ethyl ester |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
279.054084291 u |
| Formula |
C11H12F3NO2S |
| InChI |
InChI=1S/C11H12F3NO2S/c1-2-17-10(16)9(18-11(12,13)14)7-8-5-3-4-6-15-8/h3-6,9H,2,7H2,1H3 |
| InChIKey |
IGEMTJQECDVDLA-UHFFFAOYSA-N |
| Instrument Name |
Varian Saturn 2100 T |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201602730 |
| Molecular Weight |
279.277 g/mol |
| Quality |
68 |
| SMILES |
C(SC(C(=O)OCC)CC1=NC=CC=C1)(F)(F)F |
| SPLASH |
splash10-03dr-1890000000-0a66fa85866f22e555e6 |
| Source of Spectrum |
QE-22-SM24-2v (DOI: 10.1002/chem.201602730) |
| Wiley ID |
1905017 |
![2-[(trifluoromethyl)thio]-3-(2-pyridinyl)propanoic acid ethyl ester](/api/spectrum/4rtimBh1hRR/structure.png?h=300&w=458 "2-[(trifluoromethyl)thio]-3-(2-pyridinyl)propanoic acid ethyl ester")
