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cis-2,5-Dithiocyanatocyclopentanone
SpectraBase Compound ID F7vd7akHGc4
InChI InChI=1S/C7H6N2OS2/c8-3-11-5-1-2-6(7(5)10)12-4-9/h5-6H,1-2H2/t5-,6+
InChIKey CQZMIAOSEYOVQA-OLQVQODUSA-N
Mol Weight 198.26 g/mol
Molecular Formula C7H6N2OS2
Exact Mass 197.992155 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9MnXj4v0mRp
Name CIS-2,5-DITHIOCYANATO-CYCLOPENTANONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H6N2OS2
InChI InChI=1S/C7H6N2OS2/c8-3-11-5-1-2-6(7(5)10)12-4-9/h5-6H,1-2H2/t5-,6+
InChIKey CQZMIAOSEYOVQA-OLQVQODUSA-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 198.257 g/mol
Solvent CDCl3
Source File Reference UWCS1844