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(5S*,6R*,7S*)-6-[2-Benzyloxyethyl]-7-[3-phenylsulfonylpropyl]-8-oxa-1-azabicyclo[3.2.1]octane
SpectraBase Compound ID 5cD9JO4zmMW
InChI InChI=1S/C24H31NO4S/c26-30(27,21-11-5-2-6-12-21)18-8-13-23-22(24-14-7-16-25(23)29-24)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 QETQYHWXDZFXAG-SGNDLWITSA-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 CrT9OC5r2sI
Name (5S*,6R*,7S*)-6-[2-Benzyloxyethyl]-7-[3-phenylsulfonylpropyl]-8-oxa-1-azabicyclo[3.2.1]octane
Alternate Name(s) (5S,6R,7S)-6-[2-(benzyloxy)ethyl]-7-[3-(phenylsulfonyl)propyl]-8-oxa-1-azabicyclo[3.2.1]octane 3-{(5S,6R,7S)-6-[2-(benzyloxy)ethyl]-8-oxa-1-azabicyclo[3.2.1]oct-7-yl}propyl phenyl sulfone
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Formula C24H31NO4S
InChI InChI=1S/C24H31NO4S/c26-30(27,21-11-5-2-6-12-21)18-8-13-23-22(24-14-7-16-25(23)29-24)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 QETQYHWXDZFXAG-SGNDLWITSA-N
Molecular Weight 429.575 g/mol
SMILES [C@@]12(ON([C@]([C@]2(CCOCc2ccccc2)[H])(CCCS(=O)(=O)c2ccccc2)[H])CCC1)[H]
SPLASH splash10-0007-8967400000-1d06a3a8370857b432c5
Source of Spectrum KC-1992-1098-47
Wiley ID 776386