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(3RS,4SR,5SR)-4-Hydroxy-5-phenylthio-3-[(2RS)-2-piperidyl]oxepan-2-one
SpectraBase Compound ID JEgdqtsPCyy
InChI InChI=1S/C17H23NO3S/c19-16-14(22-12-6-2-1-3-7-12)9-11-21-17(20)15(16)13-8-4-5-10-18-13/h1-3,6-7,13-16,18-19H,4-5,8-11H2
InChIKey VAKHXKAPQSGFEZ-UHFFFAOYSA-N
Mol Weight 321.44 g/mol
Molecular Formula C17H23NO3S
Exact Mass 321.139865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E0aEIDHSVkr
Name (3RS,4SR,5SR)-4-Hydroxy-5-phenylthio-3-[(2RS)-2-piperidyl]oxepan-2-one
Alternate Name(s) 4-Hydroxy-5-(phenylsulfanyl)-3-(piperidin-2-yl)oxepan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23NO3S
InChI InChI=1S/C17H23NO3S/c19-16-14(22-12-6-2-1-3-7-12)9-11-21-17(20)15(16)13-8-4-5-10-18-13/h1-3,6-7,13-16,18-19H,4-5,8-11H2
InChIKey VAKHXKAPQSGFEZ-UHFFFAOYSA-N
Molecular Weight 321.435 g/mol
SMILES OC1C(CCOC(C1C1NCCCC1)=O)Sc1ccccc1
SPLASH splash10-001i-9000000000-ab3de9557aaf92fc39fa
Source of Spectrum K1-2004-4222-15
Wiley ID 1561697