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N-Allyloxycarbonyl-3,3-bis(phenylthio)-2-piperidone
SpectraBase Compound ID 7H1rUVKALVr
InChI InChI=1S/C21H21NO3S2/c1-2-16-25-20(24)22-15-9-14-21(19(22)23,26-17-10-5-3-6-11-17)27-18-12-7-4-8-13-18/h2-8,10-13H,1,9,14-16H2
InChIKey WARHENFNPITKFY-UHFFFAOYSA-N
Mol Weight 399.52 g/mol
Molecular Formula C21H21NO3S2
Exact Mass 399.096286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DPYuh5UyENK
Name N-Allyloxycarbonyl-3,3-bis(phenylthio)-2-piperidone
Alternate Name(s) allyl 2-oxo-3,3-bis(phenylsulfanyl)-1-piperidinecarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C21H21NO3S2
InChI InChI=1S/C21H21NO3S2/c1-2-16-25-20(24)22-15-9-14-21(19(22)23,26-17-10-5-3-6-11-17)27-18-12-7-4-8-13-18/h2-8,10-13H,1,9,14-16H2
InChIKey WARHENFNPITKFY-UHFFFAOYSA-N
Molecular Weight 399.523 g/mol
SMILES C1(N(CCCC1(Sc1ccccc1)Sc1ccccc1)C(=O)OCC=C)=O
SPLASH splash10-0006-0090000000-655cc901b3effcd886aa
Source of Spectrum H1-39-286-12
Wiley ID 756798