| SpectraBase Spectrum ID |
ErtLH5oB34U |
| Name |
(1S,2S,5R)-5-(m-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/c1-15-6-8-18(9-7-15)26(24,25)22-19-10-12-21(22,13-11-20(19)23)17-5-3-4-16(2)14-17/h3-9,14,19-20,23H,10-13H2,1-2H3 |
| InChIKey |
PWCDFQFKMLAWNN-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 = +8.0 (c = 0.4, CH2Cl2) |
| Reported Formula |
C21H25NO3S |
| SMILES |
OC1CCC2(N(C1CC2)S(=O)(=O)c1ccc(cc1)C)c1cc(ccc1)C |
| SPLASH |
splash10-066r-2693000000-db356de98554683c46a5 |
| Sample Comments |
78% ee |
| Source of Spectrum |
ACI-59-SM41-2j |
| Thin-Layer Chromatography |
Rf = 0.36 (petroleum ether/CH2Cl2, 1:2, 20% EtOAc) |
| Wiley ID |
1857753 |
![(1S,2S,5R)-5-(m-Tolyl)-8-tosyl-8-azabicyclo[3.2.1]octan-2-ol](/api/spectrum/ErtLH5oB34U/structure.png?h=300&w=458 "(1S,2S,5R)-5-(m-Tolyl)-8-tosyl-8-azabicyclo[3.2.1]octan-2-ol")
