| SpectraBase Spectrum ID |
DsLtLXVGsYU |
| Name |
(1S,2S,5R)-5-(Thiophen-3-yl)-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 |
C18H21NO3S2 |
| InChI |
InChI=1S/C18H21NO3S2/c1-13-2-4-15(5-3-13)24(21,22)19-16-6-9-18(19,10-7-17(16)20)14-8-11-23-12-14/h2-5,8,11-12,16-17,20H,6-7,9-10H2,1H3 |
| InChIKey |
FFWUVGPDJXBSOQ-UHFFFAOYSA-N |
| Instrument Name |
Agilent 7890A-5975C |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202000650 |
| Molecular Weight |
363.490 g/mol |
| Optical Rotation |
[a]D20 = +11.8 (c = 0.2, CH2Cl2) |
| Reported Formula |
C18H21NO3S2 |
| SMILES |
OC1CCC2(N(C1CC2)S(=O)(=O)c1ccc(cc1)C)c1ccsc1 |
| SPLASH |
splash10-001r-9030000000-5fcd9a8037af482d26da |
| Sample Comments |
56% ee |
| Source of Spectrum |
ACI-59-SM44-2n |
| Thin-Layer Chromatography |
Rf = 0.28 (petroleum ether/CH2Cl2, 1:2, 20% EtOAc) |
| Wiley ID |
1857757 |
![(1S,2S,5R)-5-(Thiophen-3-yl)-8-tosyl-8-azabicyclo[3.2.1]octan-2-ol](/api/spectrum/DsLtLXVGsYU/structure.png?h=300&w=458 "(1S,2S,5R)-5-(Thiophen-3-yl)-8-tosyl-8-azabicyclo[3.2.1]octan-2-ol")
