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(1S,2S,5R)-5-Methyl-8-tosyl-8-azabicyclo[3.2.1]octan-2-ol
SpectraBase Compound ID 1Z4wxF3jPfS
InChI InChI=1S/C15H21NO3S/c1-11-3-5-12(6-4-11)20(18,19)16-13-7-9-15(16,2)10-8-14(13)17/h3-6,13-14,17H,7-10H2,1-2H3
InChIKey GSGXOJOCCYTCAT-UHFFFAOYSA-N
Mol Weight 295.4 g/mol
Molecular Formula C15H21NO3S
Exact Mass 295.124215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D4Dbr7RxqKz
Name (1S,2S,5R)-5-Methyl-8-tosyl-8-azabicyclo[3.2.1]octan-2-ol
Appearance White solid
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Formula C15H21NO3S
InChI InChI=1S/C15H21NO3S/c1-11-3-5-12(6-4-11)20(18,19)16-13-7-9-15(16,2)10-8-14(13)17/h3-6,13-14,17H,7-10H2,1-2H3
InChIKey GSGXOJOCCYTCAT-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/anie.202000650
Molecular Weight 295.397 g/mol
Optical Rotation [a]D20 = +3.2 (c = 1.0, CH2Cl2)
Reported Formula C15H21NO3S
SMILES OC1CCC2(N(C1CC2)S(=O)(=O)c1ccc(cc1)C)C
SPLASH splash10-0006-4920000000-ceaaa00939d51d42d2ec
Sample Comments 85% ee
Source of Spectrum ACI-59-SM38-2d
Thin-Layer Chromatography Rf = 0.28 (petroleum ether/CH2Cl2, 1:2, 20% EtOAc)
Wiley ID 1857747