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N-Methoxycarbonyl-3,3-bis(phenylthio)-2-piperidone
SpectraBase Compound ID GukDqyhbPVh
InChI InChI=1S/C19H19NO3S2/c1-23-18(22)20-14-8-13-19(17(20)21,24-15-9-4-2-5-10-15)25-16-11-6-3-7-12-16/h2-7,9-12H,8,13-14H2,1H3
InChIKey CUYTWKJQAROOJQ-UHFFFAOYSA-N
Mol Weight 373.49 g/mol
Molecular Formula C19H19NO3S2
Exact Mass 373.080636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7utoEBYmLRl
Name N-Methoxycarbonyl-3,3-bis(phenylthio)-2-piperidone
Alternate Name(s) methyl 2-oxo-3,3-bis(phenylsulfanyl)-1-piperidinecarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C19H19NO3S2
InChI InChI=1S/C19H19NO3S2/c1-23-18(22)20-14-8-13-19(17(20)21,24-15-9-4-2-5-10-15)25-16-11-6-3-7-12-16/h2-7,9-12H,8,13-14H2,1H3
InChIKey CUYTWKJQAROOJQ-UHFFFAOYSA-N
Molecular Weight 373.485 g/mol
SMILES C1(N(CCCC1(Sc1ccccc1)Sc1ccccc1)C(=O)OC)=O
SPLASH splash10-000i-0090000000-07d8e45633e86e3ef57a
Source of Spectrum H1-39-285-12
Wiley ID 756799