| SpectraBase Spectrum ID |
2QaMX4VhqUI |
| Name |
(3R)-2-(tert-Butanesulfonyl)-6-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/c1-5-6-10-21-13-15-22-19-26(29(27,28)25(2,3)4)24(18-23(22)17-21)16-14-20-11-8-7-9-12-20/h7-9,11-13,15,17,24H,5-6,10,14,16,18-19H2,1-4H3/t24-/m1/s1 |
| InChIKey |
LEYRMUNUHJBJHL-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([C@]1(N(S(C(C)(C)C)(=O)=O)Cc2c(C1)cc(cc2)CCCC)[H])Cc1ccccc1 |
| SPLASH |
splash10-000i-1930000000-b4e7305dcd388763422e |
| Sample Comments |
regioisomeric mixture (1:1) |
| Source of Spectrum |
U1-2020-123-7n |
| Thin-Layer Chromatography |
Rf = 0.55 (hexane/EtOAc, 6:1) |
| Wiley ID |
1856951 |
