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TRANS-2,7-DITHIOCYANATOCYCLOHEPTANONE

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TRANS-2,7-DITHIOCYANATOCYCLOHEPTANONE
SpectraBase Compound ID HJn0sw88GOn
InChI InChI=1S/C9H10N2OS2/c10-5-13-7-3-1-2-4-8(9(7)12)14-6-11/h7-8H,1-4H2/t7-,8-/m1/s1
InChIKey XCETVLRFLVNYCC-HTQZYQBOSA-N
Mol Weight 226.31 g/mol
Molecular Formula C9H10N2OS2
Exact Mass 226.023455 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DQmWJdNk534
Name TRANS-2,7-DITHIOCYANATOCYCLOHEPTANONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H10N2OS2
InChI InChI=1S/C9H10N2OS2/c10-5-13-7-3-1-2-4-8(9(7)12)14-6-11/h7-8H,1-4H2/t7-,8-/m1/s1
InChIKey XCETVLRFLVNYCC-HTQZYQBOSA-N
Literature Reference Author P.L.FOLKINS,D.N.HARPP
Literature Reference Citation J.ORG.CHEM.,57,2013(1992)
Literature Reference DOI 10.1021/jo00033a022
Molecular Weight 226.311 g/mol
Solvent CDCl3
Source File Reference UWCS1856