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(1S,2S,5R)-8-Tosyl-8-azabicyclo[3.2.1]octan-2-ol
SpectraBase Compound ID 4kwmhnGPXA5
InChI InChI=1S/C14H19NO3S/c1-10-2-6-12(7-3-10)19(17,18)15-11-4-8-13(15)14(16)9-5-11/h2-3,6-7,11,13-14,16H,4-5,8-9H2,1H3
InChIKey HCYAUUBZFLAVND-UHFFFAOYSA-N
Mol Weight 281.37 g/mol
Molecular Formula C14H19NO3S
Exact Mass 281.108565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ej9UhZhOLKi
Name (1S,2S,5R)-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 C14H19NO3S
InChI InChI=1S/C14H19NO3S/c1-10-2-6-12(7-3-10)19(17,18)15-11-4-8-13(15)14(16)9-5-11/h2-3,6-7,11,13-14,16H,4-5,8-9H2,1H3
InChIKey HCYAUUBZFLAVND-UHFFFAOYSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/anie.202000650
Molecular Weight 281.370 g/mol
Optical Rotation [a]D20 = -26.5 (c = 1.0, CH2Cl2)
Reported Formula C14H19NO3S
SMILES OC1CCC2N(C1CC2)S(=O)(=O)c1ccc(cc1)C
SPLASH splash10-004i-4900000000-451b379ebbc0e28d5ff8
Sample Comments 94% ee
Source of Spectrum ACI-59-SM36-2a
Thin-Layer Chromatography Rf = 0.23 (petroleum ether/Et2O, 3:7)
Wiley ID 1857745