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(7-METHYL-5,8-DIOXO-5,8-DIHYDRO-NAPHTHALEN-2-YL)-METHYL-THIOCYANATE

View entire compound with spectra: 1 NMR

(7-METHYL-5,8-DIOXO-5,8-DIHYDRO-NAPHTHALEN-2-YL)-METHYL-THIOCYANATE
SpectraBase Compound ID 3PawcUm6Qlc
InChI InChI=1S/C13H9NO2S/c1-8-4-12(15)10-3-2-9(6-17-7-14)5-11(10)13(8)16/h2-5H,6H2,1H3
InChIKey KMSMAIWEUVKGFT-UHFFFAOYSA-N
Mol Weight 243.28 g/mol
Molecular Formula C13H9NO2S
Exact Mass 243.0354 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6lYduFZxtAD
Name (7-METHYL-5,8-DIOXO-5,8-DIHYDRO-NAPHTHALEN-2-YL)-METHYL-THIOCYANATE
Compound Number 68
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H9NO2S
InChI InChI=1S/C13H9NO2S/c1-8-4-12(15)10-3-2-9(6-17-7-14)5-11(10)13(8)16/h2-5H,6H2,1H3
InChIKey KMSMAIWEUVKGFT-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 243.280 g/mol
Sample ID 2760
Solvent CDCl3