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Ethyl 1-benzyl-3-oxo-4-phenylthiomethyl-4-piperidinecarboxylate
SpectraBase Compound ID 2Us9eGbnZG3
InChI InChI=1S/C22H25NO3S/c1-2-26-21(25)22(17-27-19-11-7-4-8-12-19)13-14-23(16-20(22)24)15-18-9-5-3-6-10-18/h3-12H,2,13-17H2,1H3
InChIKey IAMBMARCWHDFHD-UHFFFAOYSA-N
Mol Weight 383.51 g/mol
Molecular Formula C22H25NO3S
Exact Mass 383.155515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I9c568hC00R
Name Ethyl 1-benzyl-3-oxo-4-phenylthiomethyl-4-piperidinecarboxylate
Alternate Name(s) ethyl 1-benzyl-3-oxo-4-[(phenylsulfanyl)methyl]-4-piperidinecarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C22H25NO3S
InChI InChI=1S/C22H25NO3S/c1-2-26-21(25)22(17-27-19-11-7-4-8-12-19)13-14-23(16-20(22)24)15-18-9-5-3-6-10-18/h3-12H,2,13-17H2,1H3
InChIKey IAMBMARCWHDFHD-UHFFFAOYSA-N
Molecular Weight 383.506 g/mol
SMILES C1(C(CN(CC1)Cc1ccccc1)=O)(C(=O)OCC)CSc1ccccc1
SPLASH splash10-0006-9000000000-06ef1e5f6c6a2321cab5
Source of Spectrum F-47-4852-7
Wiley ID 1361109