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cis-4,5-Diisothiocyanato-3,6-dimethylcyclohex-4-ene-1,1,2,2-tetracarbonitrile
SpectraBase Compound ID 3oTnt8FfLG6
InChI InChI=1S/C14H8N6S2/c1-9-11(19-7-21)12(20-8-22)10(2)14(5-17,6-18)13(9,3-15)4-16/h9-10H,1-2H3/t9-,10+
InChIKey XUVIKQPKIDRCEU-AOOOYVTPSA-N
Mol Weight 324.38 g/mol
Molecular Formula C14H8N6S2
Exact Mass 324.025187 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C8YZvYGtK0z
Name cis-4,5-Diisothiocyanato-3,6-dimethylcyclohex-4-ene-1,1,2,2-tetracarbonitrile
Alternate Name(s) (3R,6S)-4,5-diisothiocyanato-3,6-dimethyl-4-cyclohexene-1,1,2,2-tetracarbonitrile (3S,6R)-4,5-diisothiocyanato-3,6-dimethyl-cyclohex-4-ene-1,1,2,2-tetracarbonitrile (3R,6S)-4,5-diisothiocyanato-3,6-dimethylcyclohex-4-ene-1,1,2,2-tetracarbonitrile
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Formula C14H8N6S2
InChI InChI=1S/C14H8N6S2/c1-9-11(19-7-21)12(20-8-22)10(2)14(5-17,6-18)13(9,3-15)4-16/h9-10H,1-2H3/t9-,10+
InChIKey XUVIKQPKIDRCEU-AOOOYVTPSA-N
Molecular Weight 324.380 g/mol
SMILES C1(C([C@](C)(C(=C([C@@]1(C)[H])N=C=S)N=C=S)[H])(C#N)C#N)(C#N)C#N
SPLASH splash10-01q1-0901000000-3809e64e741a961c3b8c
Source of Spectrum C5-2002-1430-9
Wiley ID 1614814