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S-[(1,4-DIOXO-1,4-DIHYDRO-NAPHTHALEN-2-YL)-METHYL]-ETHANETHIONATE
SpectraBase Compound ID JjukSCQMmfw
InChI InChI=1S/C13H10O3S/c1-8(14)17-7-9-6-12(15)10-4-2-3-5-11(10)13(9)16/h2-6H,7H2,1H3
InChIKey NEFWPSJZBOCQJX-UHFFFAOYSA-N
Mol Weight 246.28 g/mol
Molecular Formula C13H10O3S
Exact Mass 246.035065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ntMjz04W1F
Name S-[(1,4-DIOXO-1,4-DIHYDRO-NAPHTHALEN-2-YL)-METHYL]-ETHANETHIONATE
Compound Number 67
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H10O3S
InChI InChI=1S/C13H10O3S/c1-8(14)17-7-9-6-12(15)10-4-2-3-5-11(10)13(9)16/h2-6H,7H2,1H3
InChIKey NEFWPSJZBOCQJX-UHFFFAOYSA-N
Literature Reference Author X.R.CUI,R.SAITO,T.KUBO,D.KON,Y.HIRANO,S.SAITO
Literature Reference Citation CHEM.PHARM.BULL.,59,302(2011)
Literature Reference DOI 10.1248/cpb.59.302
Molecular Weight 246.281 g/mol
Sample ID 2759
Solvent CDCl3