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(3RS,4SR,5SR)-5-Acetoxy-3-[(2RS)-N-benzylpiperidin-2-yl]-4-hydroxyoxepan-2-one
SpectraBase Compound ID HgbgKouRdzz
InChI InChI=1S/C20H27NO5/c1-14(22)26-17-10-12-25-20(24)18(19(17)23)16-9-5-6-11-21(16)13-15-7-3-2-4-8-15/h2-4,7-8,16-19,23H,5-6,9-13H2,1H3
InChIKey WCYXZBQOCRUESI-UHFFFAOYSA-N
Mol Weight 361.44 g/mol
Molecular Formula C20H27NO5
Exact Mass 361.188923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9G3V8xxwIjZ
Name (3RS,4SR,5SR)-5-Acetoxy-3-[(2RS)-N-benzylpiperidin-2-yl]-4-hydroxyoxepan-2-one
Alternate Name(s) 6-(1-benzylpiperidin-2-yl)-5-hydroxy-7-oxooxepan-4-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27NO5
InChI InChI=1S/C20H27NO5/c1-14(22)26-17-10-12-25-20(24)18(19(17)23)16-9-5-6-11-21(16)13-15-7-3-2-4-8-15/h2-4,7-8,16-19,23H,5-6,9-13H2,1H3
InChIKey WCYXZBQOCRUESI-UHFFFAOYSA-N
Molecular Weight 361.438 g/mol
SMILES OC1C(C(OCCC1OC(=O)C)=O)C1N(CCCC1)Cc1ccccc1
SPLASH splash10-00dl-5900000000-a21023b46c00ca432148
Source of Spectrum K1-2004-4226-34
Wiley ID 1561686