| SpectraBase Spectrum ID |
14RVAEKCUDA |
| Name |
(1S,2S,5R)-5-(o-Tolyl)-8-tosyl-8-azabicyclo[3.2.1]octan-2-ol |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H25NO3S |
| InChI |
InChI=1S/C21H25NO3S/c1-15-7-9-17(10-8-15)26(24,25)22-19-11-13-21(22,14-12-20(19)23)18-6-4-3-5-16(18)2/h3-10,19-20,23H,11-14H2,1-2H3 |
| InChIKey |
QJQRHWICRQAZDE-PCCBWWKXSA-N |
| Instrument Name |
Agilent 7890A-5975C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202000650 |
| Molecular Weight |
371.495 g/mol |
| Optical Rotation |
[a]D20 = +11.6 (c = 1.0, CH2Cl2) |
| Reported Formula |
C21H25NO3S |
| SMILES |
OC1CCC2(N(C1CC2)S(=O)(=O)c1ccc(cc1)C)c1c(cccc1)C |
| SPLASH |
splash10-03di-3519000000-62d2700bda7f666f8651 |
| Sample Comments |
96% ee |
| Source of Spectrum |
ACI-59-SM41-2i |
| Thin-Layer Chromatography |
Rf = 0.33 (petroleum ether/CH2Cl2, 1:2, 20% EtOAc) |
| Wiley ID |
1857752 |
![(1S,2S,5R)-5-(o-Tolyl)-8-tosyl-8-azabicyclo[3.2.1]octan-2-ol](/api/spectrum/14RVAEKCUDA/structure.png?h=300&w=458 "(1S,2S,5R)-5-(o-Tolyl)-8-tosyl-8-azabicyclo[3.2.1]octan-2-ol")
