| SpectraBase Spectrum ID |
8RDKusMkhYF |
| Name |
(1S,2S,5R)-5-Butyl-8-tosyl-8-azabicyclo[3.2.1]octan-2-ol |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H27NO3S |
| InChI |
InChI=1S/C18H27NO3S/c1-3-4-11-18-12-9-16(17(20)10-13-18)19(18)23(21,22)15-7-5-14(2)6-8-15/h5-8,16-17,20H,3-4,9-13H2,1-2H3 |
| InChIKey |
YMURFWZKSCJVLT-UHFFFAOYSA-N |
| Instrument Name |
Agilent 7890A-5975C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202000650 |
| Molecular Weight |
337.478 g/mol |
| Optical Rotation |
[a]D20 = +10.5 (c = 0.7, CH2Cl2) |
| Reported Formula |
C18H27NO3S |
| SMILES |
OC1CCC2(N(C1CC2)S(=O)(=O)c1ccc(cc1)C)CCCC |
| SPLASH |
splash10-003r-2930000000-5cfc720fbaab82d4727c |
| Sample Comments |
86% ee |
| Source of Spectrum |
ACI-59-SM38-2e |
| Thin-Layer Chromatography |
Rf = 0.32 (petroleum ether/EtOAc, 6:4) |
| Wiley ID |
1857748 |
![(1S,2S,5R)-5-Butyl-8-tosyl-8-azabicyclo[3.2.1]octan-2-ol](/api/spectrum/8RDKusMkhYF/structure.png?h=300&w=458 "(1S,2S,5R)-5-Butyl-8-tosyl-8-azabicyclo[3.2.1]octan-2-ol")
