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(1,4-DIOXO-1,4-DIHYDRO-NAPHTHALEN-2-YL)-METHYL-THIOCYANATE
SpectraBase Compound ID GoMksH5McXy
InChI InChI=1S/C12H7NO2S/c13-7-16-6-8-5-11(14)9-3-1-2-4-10(9)12(8)15/h1-5H,6H2
InChIKey XKCYFNOUMCRLAJ-UHFFFAOYSA-N
Mol Weight 229.25 g/mol
Molecular Formula C12H7NO2S
Exact Mass 229.01975 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HsQ80mgCJHg
Name (1,4-DIOXO-1,4-DIHYDRO-NAPHTHALEN-2-YL)-METHYL-THIOCYANATE
Compound Number 65
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H7NO2S
InChI InChI=1S/C12H7NO2S/c13-7-16-6-8-5-11(14)9-3-1-2-4-10(9)12(8)15/h1-5H,6H2
InChIKey XKCYFNOUMCRLAJ-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 229.253 g/mol
Sample ID 2757
Solvent CDCl3