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(3RS,5SR)-5-Acetoxy-3-[(2SR)-N-benzylpiperidin-2-yl]oxepan-2-one
SpectraBase Compound ID Lq8NiM2awMT
InChI InChI=1S/C20H27NO4/c1-15(22)25-17-10-12-24-20(23)18(13-17)19-9-5-6-11-21(19)14-16-7-3-2-4-8-16/h2-4,7-8,17-19H,5-6,9-14H2,1H3
InChIKey JXNLIRYISXUSFX-UHFFFAOYSA-N
Mol Weight 345.44 g/mol
Molecular Formula C20H27NO4
Exact Mass 345.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZNHNCCShA1
Name (3RS,5SR)-5-Acetoxy-3-[(2SR)-N-benzylpiperidin-2-yl]oxepan-2-one
Alternate Name(s) 6-(1-benzyl-2-piperidinyl)-7-oxo-4-oxepanyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27NO4
InChI InChI=1S/C20H27NO4/c1-15(22)25-17-10-12-24-20(23)18(13-17)19-9-5-6-11-21(19)14-16-7-3-2-4-8-16/h2-4,7-8,17-19H,5-6,9-14H2,1H3
InChIKey JXNLIRYISXUSFX-UHFFFAOYSA-N
Molecular Weight 345.439 g/mol
SMILES C1(OCCC(CC1C1N(CCCC1)Cc1ccccc1)OC(=O)C)=O
SPLASH splash10-00dl-7900000000-f67d66fe4399364d45e6
Source of Spectrum K1-2004-4228-47
Wiley ID 1561675