| SpectraBase Spectrum ID |
LbuY6LiQ7Q |
| Name |
(2S,3S)-1-Benzyl-2-(2-methylthioethyl)-3-piperidinol |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H23NOS |
| InChI |
InChI=1S/C15H23NOS/c1-18-11-9-14-15(17)8-5-10-16(14)12-13-6-3-2-4-7-13/h2-4,6-7,14-15,17H,5,8-12H2,1H3/t14-,15-/m0/s1 |
| InChIKey |
BZCYMGQHZRUDII-GJZGRUSLSA-N |
| Instrument Name |
Waters Micromass LCT Premier |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3762/bjoc.10.35 |
| Molecular Weight |
265.415 g/mol |
| Optical Rotation |
[a]D = +75.2 (c = 1.385, CHCl3) |
| SMILES |
O[C@@]1([C@@](N(Cc2ccccc2)CCC1)(CCSC)[H])[H] |
| SPLASH |
splash10-0006-7900000000-6e159d63c97271c633d7 |
| Sample Comments |
dr > 19:1, >=98% ee |
| Source of Spectrum |
BJO-10-SM46-cis-11d |
| Thin-Layer Chromatography |
Rf = 0.58 (EtOAc),0.35 (iPrOH/c-Hex, 1:6), 0.70 (iPrOH/c-Hex, 1:3) |
| Wiley ID |
1854096 |
