| SpectraBase Spectrum ID |
5q2mMaxPkKs |
| Name |
(1S,2S,5R)-5-(4-Methoxyphenyl)-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 |
C21H25NO4S |
| InChI |
InChI=1S/C21H25NO4S/c1-15-3-9-18(10-4-15)27(24,25)22-19-11-13-21(22,14-12-20(19)23)16-5-7-17(26-2)8-6-16/h3-10,19-20,23H,11-14H2,1-2H3 |
| InChIKey |
AHVRDLWVHIXVBP-PCCBWWKXSA-N |
| Instrument Name |
Agilent 7890A-5975C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202000650 |
| Molecular Weight |
387.494 g/mol |
| Optical Rotation |
[a]D20 = +17.3 (c = 0.9, CH2Cl2) |
| Reported Formula |
C21H25NO4S |
| SMILES |
OC1CCC2(N(C1CC2)S(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)OC |
| SPLASH |
splash10-0a4i-1190000000-f02348812c82358f3bcd |
| Sample Comments |
82% ee |
| Source of Spectrum |
ACI-59-SM42-2k |
| Thin-Layer Chromatography |
Rf = 0.24 (petroleum ether/Et2O, 2:8) |
| Wiley ID |
1857754 |
![(1S,2S,5R)-5-(4-Methoxyphenyl)-8-tosyl-8-azabicyclo[3.2.1]octan-2-ol](/api/spectrum/5q2mMaxPkKs/structure.png?h=300&w=458 "(1S,2S,5R)-5-(4-Methoxyphenyl)-8-tosyl-8-azabicyclo[3.2.1]octan-2-ol")
