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1-Benzyl-4-[(methoxycarbonyl)ethylthio]-6-phenylpiperidine-2-thione
SpectraBase Compound ID 8av6RFsvjsI
InChI InChI=1S/C22H25NO2S2/c1-25-22(24)12-13-27-19-14-20(18-10-6-3-7-11-18)23(21(26)15-19)16-17-8-4-2-5-9-17/h2-11,19-20H,12-16H2,1H3
InChIKey XULSKNHWQVJIDY-UHFFFAOYSA-N
Mol Weight 399.57 g/mol
Molecular Formula C22H25NO2S2
Exact Mass 399.132671 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9nkMEPg5FVh
Name 1-Benzyl-4-[(methoxycarbonyl)ethylthio]-6-phenylpiperidine-2-thione
Alternate Name(s) (1-Benzyl-2-phenyl-6-thioxo-piperidin-4-yl)thioacetic acid, ethyl ester Ethyl[(1-benzyl-2-phenyl-6-thioxo-4-piperidinyl)sulfanyl]acetate Methyl 3-[(1-benzyl-2-phenyl-6-thioxo-4-piperidinyl)sulfanyl]propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO2S2
InChI InChI=1S/C22H25NO2S2/c1-25-22(24)12-13-27-19-14-20(18-10-6-3-7-11-18)23(21(26)15-19)16-17-8-4-2-5-9-17/h2-11,19-20H,12-16H2,1H3
InChIKey XULSKNHWQVJIDY-UHFFFAOYSA-N
Molecular Weight 399.567 g/mol
SMILES C1(N(C(CC(C1)SCCC(=O)OC)c1ccccc1)Cc1ccccc1)=S
SPLASH splash10-0006-9200000000-5a11b73a6b2d71328dfb
Source of Spectrum Y-34-648-5
Wiley ID 1368964