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(5R,6S,8R)-6-(2-benzoxyethyl)-8-(3-besylpropyl)-7-oxa-1-azabicyclo[3.2.1]octane
SpectraBase Compound ID E4eYIcVmyx
InChI InChI=1S/C24H31NO4S/c26-30(27,21-11-5-2-6-12-21)18-8-14-23-22-13-7-16-25(23)29-24(22)15-17-28-19-20-9-3-1-4-10-20/h1-6,9-12,22-24H,7-8,13-19H2/t22-,23-,24+/m1/s1
InChIKey NDCUOEPYQGMZJJ-SMIHKQSGSA-N
Mol Weight 429.58 g/mol
Molecular Formula C24H31NO4S
Exact Mass 429.19738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4olQ732oRBL
Name (5R,6S,8R)-6-(2-benzoxyethyl)-8-(3-besylpropyl)-7-oxa-1-azabicyclo[3.2.1]octane
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Formula C24H31NO4S
InChI InChI=1S/C24H31NO4S/c26-30(27,21-11-5-2-6-12-21)18-8-14-23-22-13-7-16-25(23)29-24(22)15-17-28-19-20-9-3-1-4-10-20/h1-6,9-12,22-24H,7-8,13-19H2/t22-,23-,24+/m1/s1
InChIKey NDCUOEPYQGMZJJ-SMIHKQSGSA-N
Molecular Weight 429.575 g/mol
SMILES [C@@]1(ON2[C@@]([C@@]1([H])CCC2)(CCCS(=O)(=O)c1ccccc1)[H])(CCOCc1ccccc1)[H]
SPLASH splash10-000f-9344600000-4b103e44c92227fb26dd
Source of Spectrum KC-1992-1098-46
Synonyms (5R,6S,8R)-6-(2-phenylmethoxyethyl)-8-[3-(phenylsulfonyl)propyl]-7-oxa-1-azabicyclo[3.2.1]octane (5R,6S,8R)-8-[3-(benzenesulfonyl)propyl]-6-(2-benzyloxyethyl)-7-oxa-1-azabicyclo[3.2.1]octane (5R,6S,8R)-8-[3-(benzenesulfonyl)propyl]-6-(2-phenylmethoxyethyl)-7-oxa-1-azabicyclo[3.2.1]octane
Wiley ID 776387