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(3RS,4SR,5SR)-3-[(2RS)-N-benzylpiperidin-2-yl]-4-hydroxy-5-phenylthiooxepan-2-one
SpectraBase Compound ID 3dxo1XPQS0Q
InChI InChI=1S/C24H29NO3S/c26-23-21(29-19-11-5-2-6-12-19)14-16-28-24(27)22(23)20-13-7-8-15-25(20)17-18-9-3-1-4-10-18/h1-6,9-12,20-23,26H,7-8,13-17H2
InChIKey NHZAWIOFLVFAOS-UHFFFAOYSA-N
Mol Weight 411.56 g/mol
Molecular Formula C24H29NO3S
Exact Mass 411.186815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Ok1uDpjE3T
Name (3RS,4SR,5SR)-3-[(2RS)-N-benzylpiperidin-2-yl]-4-hydroxy-5-phenylthiooxepan-2-one
Alternate Name(s) 3-(1-benzylpiperidin-2-yl)-4-hydroxy-5-(phenylsulfanyl)oxepan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H29NO3S
InChI InChI=1S/C24H29NO3S/c26-23-21(29-19-11-5-2-6-12-19)14-16-28-24(27)22(23)20-13-7-8-15-25(20)17-18-9-3-1-4-10-18/h1-6,9-12,20-23,26H,7-8,13-17H2
InChIKey NHZAWIOFLVFAOS-UHFFFAOYSA-N
Molecular Weight 411.560 g/mol
SMILES OC1C(C(OCCC1Sc1ccccc1)=O)C1N(CCCC1)Cc1ccccc1
SPLASH splash10-00dl-4900000000-fbdd96381e7255c99248
Source of Spectrum K1-2004-4226-35
Wiley ID 1561685