| SpectraBase Spectrum ID |
LqDcXlgOfet |
| Name |
(3R)-2-(tert-Butanesulfonyl)-7-butyl-3-phenethyl-1,2,3,4-tetrahydroisoquinoline |
| Appearance |
Orange wax |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H35NO2S |
| InChI |
InChI=1S/C25H35NO2S/c1-5-6-10-21-13-15-22-18-24(16-14-20-11-8-7-9-12-20)26(19-23(22)17-21)29(27,28)25(2,3)4/h7-9,11-13,15,17,24H,5-6,10,14,16,18-19H2,1-4H3/t24-/m1/s1 |
| InChIKey |
LUKNNPNKNSQGCU-XMMPIXPASA-N |
| Instrument Name |
LRMS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201901590 |
| Molecular Weight |
413.620 g/mol |
| Reported Formula |
C25H35NO2S |
| SMILES |
[C@@]1(Cc2ccc(cc2CN1S(C(C)(C)C)(=O)=O)CCCC)(CCc1ccccc1)[H] |
| SPLASH |
splash10-000i-2930000000-8a7b7f1edb42d26bf567 |
| Sample Comments |
regioisomeric mixture (1:1) |
| Source of Spectrum |
U1-2020-123-7o |
| Thin-Layer Chromatography |
Rf = 0.55 (hexane/EtOAc, 6:1) |
| Wiley ID |
1856952 |
