| SpectraBase Spectrum ID |
LK2hqeRyTjr |
| Name |
(S)-1-(3,5-Bis(trifluoromethyl)phenyl)-3-(1-(3-chlorophenyl)ethyl)thiourea |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H13ClF6N2S |
| InChI |
InChI=1S/C17H13ClF6N2S/c1-9(10-3-2-4-13(18)5-10)25-15(27)26-14-7-11(16(19,20)21)6-12(8-14)17(22,23)24/h2-9H,1H3,(H2,25,26,27)/t9-/m0/s1 |
| InChIKey |
NYXNJDUDQSPLOO-VIFPVBQESA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.8.160 |
| Molecular Weight |
426.808 g/mol |
| Optical Rotation |
[a]20D = 48.7 (c = 1.01, CHCl3) |
| Reported Formula |
C17H13ClF6N2S |
| SMILES |
N(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(N[C@](c1cccc(c1)Cl)(C)[H])=S |
| SPLASH |
splash10-0f9l-4940100000-02dfd0e3560c0c930c8c |
| Source of Spectrum |
BJO-8-SM12-(S)-9k |
| Thin-Layer Chromatography |
Rf = 0.20 (c-Hex/EtOAc, 5:1) |
| Wiley ID |
1864982 |
