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trans-2,5-Dithiocyanatocyclopentanone

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trans-2,5-Dithiocyanatocyclopentanone
SpectraBase Compound ID 2zXoZeIWE6n
InChI InChI=1S/C7H6N2OS2/c8-3-11-5-1-2-6(7(5)10)12-4-9/h5-6H,1-2H2/t5-,6-/m1/s1
InChIKey CQZMIAOSEYOVQA-PHDIDXHHSA-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 CahW5y7zjYL
Name CQZMIAOSEYOVQA-PHDIDXHHSA-N
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-/m1/s1
InChIKey CQZMIAOSEYOVQA-PHDIDXHHSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 198.257 g/mol
Source File Reference MHKO2934