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N-(Ethoxycarbonyl)-3-[2-(phenylsulfinyl)-2-propenyl]-4-piperidone
SpectraBase Compound ID FyifqhXq54V
InChI InChI=1S/C17H21NO4S/c1-3-22-17(20)18-10-9-16(19)14(12-18)11-13(2)23(21)15-7-5-4-6-8-15/h4-8,14H,2-3,9-12H2,1H3
InChIKey SSPMOTDQRZONLP-UHFFFAOYSA-N
Mol Weight 335.42 g/mol
Molecular Formula C17H21NO4S
Exact Mass 335.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FOEt2ZtwjyJ
Name N-(Ethoxycarbonyl)-3-[2-(phenylsulfinyl)-2-propenyl]-4-piperidone
Alternate Name(s) Ethyl 4-oxo-3-[2-(phenylsulfinyl)-2-propenyl]-1-piperidinecarboxylate
CAS Registry Number 90838-53-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO4S
InChI InChI=1S/C17H21NO4S/c1-3-22-17(20)18-10-9-16(19)14(12-18)11-13(2)23(21)15-7-5-4-6-8-15/h4-8,14H,2-3,9-12H2,1H3
InChIKey SSPMOTDQRZONLP-UHFFFAOYSA-N
Molecular Weight 335.418 g/mol
SMILES C(N1CC(CC(S(=O)c2ccccc2)=C)C(CC1)=O)(=O)OCC
SPLASH splash10-000i-0059000000-5ba7052bfc2e809b7432
Source of Spectrum J-49-3137-0
Wiley ID 1331615