| SpectraBase Spectrum ID |
56pxZq1pXo8 |
| Name |
(S)-1-(3,5-Bis-(trifluoromethyl)phenyl)-3-(1-cyclohexylethyl)thiourea |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H20F6N2S |
| InChI |
InChI=1S/C17H20F6N2S/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/h7-11H,2-6H2,1H3,(H2,24,25,26)/t10-/m0/s1 |
| InChIKey |
OZLFRUGGSKUMHM-JTQLQIEISA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.8.160 |
| Molecular Weight |
398.411 g/mol |
| Optical Rotation |
[a]20D = 31.2 (c = 1.05, CHCl3) |
| Reported Formula |
C17H20F6N2S |
| SMILES |
N(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(N[C@](C1CCCCC1)(C)[H])=S |
| SPLASH |
splash10-000f-9041000000-dfd5b05b7e9b39ea75e5 |
| Source of Spectrum |
BJO-8-SM9-(S)-9g |
| Thin-Layer Chromatography |
Rf = 0.19 (c-Hex/EtOAc, 5:1) |
| Wiley ID |
1864979 |
