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S-[(7-METHYL-5,8-DIOXO-5,8-DIHYDRO-NAPHTHALEN-2-YL)-METHYL]-ETHANETHIONATE
SpectraBase Compound ID 2YXOGPHXReY
InChI InChI=1S/C14H12O3S/c1-8-5-13(16)11-4-3-10(7-18-9(2)15)6-12(11)14(8)17/h3-6H,7H2,1-2H3
InChIKey PFPNPOMWKFGPFJ-UHFFFAOYSA-N
Mol Weight 260.31 g/mol
Molecular Formula C14H12O3S
Exact Mass 260.050715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6XwDzAYFBCH
Name S-[(7-METHYL-5,8-DIOXO-5,8-DIHYDRO-NAPHTHALEN-2-YL)-METHYL]-ETHANETHIONATE
Compound Number 70
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H12O3S
InChI InChI=1S/C14H12O3S/c1-8-5-13(16)11-4-3-10(7-18-9(2)15)6-12(11)14(8)17/h3-6H,7H2,1-2H3
InChIKey PFPNPOMWKFGPFJ-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 260.307 g/mol
Sample ID 2762
Solvent CDCl3