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Ethyl 2-benzylsulfanyl-4,4-dimethyl-6-oxo-5-cyano-1,4,5,6-tetrahydropyridine-3-carboxylate
SpectraBase Compound ID HQNYuJwXA5W
InChI InChI=1S/C18H20N2O3S/c1-4-23-17(22)14-16(24-11-12-8-6-5-7-9-12)20-15(21)13(10-19)18(14,2)3/h5-9,13H,4,11H2,1-3H3,(H,20,21)
InChIKey FXKVHELGSWIRDR-UHFFFAOYSA-N
Mol Weight 344.43 g/mol
Molecular Formula C18H20N2O3S
Exact Mass 344.119464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FSYj79zi5hS
Name Ethyl 2-benzylsulfanyl-4,4-dimethyl-6-oxo-5-cyano-1,4,5,6-tetrahydropyridine-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20N2O3S
InChI InChI=1S/C18H20N2O3S/c1-4-23-17(22)14-16(24-11-12-8-6-5-7-9-12)20-15(21)13(10-19)18(14,2)3/h5-9,13H,4,11H2,1-3H3,(H,20,21)
InChIKey FXKVHELGSWIRDR-UHFFFAOYSA-N
Molecular Weight 344.429 g/mol
SMILES N1C(C(C(C(=C1SCc1ccccc1)C(=O)OCC)(C)C)C#N)=O
SPLASH splash10-0006-9000000000-cb51aec59400160acd4a
Source of Spectrum O1-47-1218-6
Wiley ID 1690370