| SpectraBase Spectrum ID |
1KwhIIhKtM |
| Name |
(1S,2S,5R)-5-Benzyl-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 |
C21H25NO3S |
| InChI |
InChI=1S/C21H25NO3S/c1-16-7-9-18(10-8-16)26(24,25)22-19-11-13-21(22,14-12-20(19)23)15-17-5-3-2-4-6-17/h2-10,19-20,23H,11-15H2,1H3 |
| InChIKey |
FYVQFXOUHPDNOM-UHFFFAOYSA-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 = +17.3 (c = 0.8, CH2Cl2) |
| Reported Formula |
C21H25NO3S |
| SMILES |
OC1CCC2(N(C1CC2)S(=O)(=O)c1ccc(cc1)C)Cc1ccccc1 |
| SPLASH |
splash10-014l-6292000000-18daaab46ca5c82101b6 |
| Sample Comments |
80% ee |
| Source of Spectrum |
ACI-59-SM39-2f |
| Thin-Layer Chromatography |
Rf = 0.15 (petroleum ether/EtOAc, 7:3) |
| Wiley ID |
1857749 |
![(1S,2S,5R)-5-Benzyl-8-tosyl-8-azabicyclo[3.2.1]octan-2-ol](/api/spectrum/1KwhIIhKtM/structure.png?h=300&w=458 "(1S,2S,5R)-5-Benzyl-8-tosyl-8-azabicyclo[3.2.1]octan-2-ol")
