| SpectraBase Spectrum ID |
IcuhXWIRAFf |
| Name |
(S)-1-(3,5-Bis(trifluoromethyl)phenyl)-3-(1-phenylethyl)thiourea |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H14F6N2S |
| InChI |
InChI=1S/C17H14F6N2S/c1-10(11-5-3-2-4-6-11)24-15(26)25-14-8-12(16(18,19)20)7-13(9-14)17(21,22)23/h2-10H,1H3,(H2,24,25,26)/t10-/m0/s1 |
| InChIKey |
CKSNHFIFMXWXPC-JTQLQIEISA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.8.160 |
| Molecular Weight |
392.363 g/mol |
| Optical Rotation |
[a]20D = 2.7 (c = 1.01, CHCl3) |
| Reported Formula |
C17H14F6N2S |
| SMILES |
N(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(N[C@](c1ccccc1)(C)[H])=S |
| SPLASH |
splash10-0abc-1944000000-9cbd51aa35341714d7aa |
| Source of Spectrum |
BJO-8-SM10-(S)-9h |
| Thin-Layer Chromatography |
Rf = 0.28 (c-Hex/EtOAc, 5:1) |
| Wiley ID |
1864980 |
