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4-methyl-5-thiocyanatocyclohex-4-ene-1,1,2,2-tetracarbonitrile

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4-methyl-5-thiocyanatocyclohex-4-ene-1,1,2,2-tetracarbonitrile
SpectraBase Compound ID BZwru5k98DD
InChI InChI=1S/C12H7N5S/c1-9-2-11(4-13,5-14)12(6-15,7-16)3-10(9)18-8-17/h2-3H2,1H3
InChIKey OZTIYEHEKXNZHX-UHFFFAOYSA-N
Mol Weight 253.28 g/mol
Molecular Formula C12H7N5S
Exact Mass 253.042216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 24p0I479VI
Name (4,4,5,5-tetracyano-2-methyl-cyclohexen-1-yl) thiocyanate
Alternate Name(s) thiocyanic acid (4,4,5,5-tetracyano-2-methyl-1-cyclohexenyl) ester thiocyanic acid (4,4,5,5-tetracyano-2-methyl-cyclohexen-1-yl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H7N5S
InChI InChI=1S/C12H7N5S/c1-9-2-11(4-13,5-14)12(6-15,7-16)3-10(9)18-8-17/h2-3H2,1H3
InChIKey OZTIYEHEKXNZHX-UHFFFAOYSA-N
Molecular Weight 253.283 g/mol
SMILES C1(C(CC(=C(C1)SC#N)C)(C#N)C#N)(C#N)C#N
SPLASH splash10-00kr-9220000000-e629faa39b4524a5fe62
Source of Spectrum K1-2001-1102-25
Wiley ID 846779