| SpectraBase Spectrum ID |
9lpmeEzXz43 |
| Name |
(S)-1-(1-(4-Bromophenyl)ethyl)-3-phenylthiourea |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H15BrN2S |
| InChI |
InChI=1S/C15H15BrN2S/c1-11(12-7-9-13(16)10-8-12)17-15(19)18-14-5-3-2-4-6-14/h2-11H,1H3,(H2,17,18,19)/t11-/m0/s1 |
| InChIKey |
QFOOMDSCOQUQNB-NSHDSACASA-N |
| Instrument Name |
Finnigan MAT 95 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.8.160 |
| Molecular Weight |
335.263 g/mol |
| Optical Rotation |
[a]20D = -125 (c = 0.98, CHCl3) |
| Reported Formula |
C15H15BrN2S |
| SMILES |
N(c1ccccc1)C(N[C@](c1ccc(cc1)Br)(C)[H])=S |
| SPLASH |
splash10-0019-5809000000-3873b8d97361e0018781 |
| Source of Spectrum |
BJO-8-SM6-(S)-9c |
| Thin-Layer Chromatography |
Rf = 0.20 (n-Hex/EtOAc, 5:1) |
| Wiley ID |
1864976 |
