| SpectraBase Spectrum ID |
EJvdUPTxRGw |
| Name |
(R)-1-(3,5-Bis(trifluoromethyl)phenyl)-3-(1-cyclopropylethyl)thiourea |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H14F6N2S |
| InChI |
InChI=1S/C14H14F6N2S/c1-7(8-2-3-8)21-12(23)22-11-5-9(13(15,16)17)4-10(6-11)14(18,19)20/h4-8H,2-3H2,1H3,(H2,21,22,23)/t7-/m1/s1 |
| InChIKey |
UMKBCVRLYFHCAD-SSDOTTSWSA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.8.160 |
| Molecular Weight |
356.330 g/mol |
| Optical Rotation |
[a]20D = -38.5 (c = 1.01, CHCl3) |
| Reported Formula |
C14H14F6N2S |
| SMILES |
N(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(N[C@@](C1CC1)(C)[H])=S |
| SPLASH |
splash10-004i-0009000000-2fbb03c5bf39fe8bbd27 |
| Source of Spectrum |
BJO-8-SM12-(R)-9j |
| Thin-Layer Chromatography |
Rf = 0.20 (c-Hex/EtOAc, 5:1) |
| Wiley ID |
1864973 |
