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BXLVHSGJSIWMBF-UHFFFAOYSA-N
SpectraBase Compound ID B7gsc4Ri8nz
InChI InChI=1S/C16H16N4S/c1-21-16(13(10-19)11-20)15-7-5-3-2-4-6-14(15)12(8-17)9-18/h15H,2-7H2,1H3
InChIKey BXLVHSGJSIWMBF-UHFFFAOYSA-N
Mol Weight 296.39 g/mol
Molecular Formula C16H16N4S
Exact Mass 296.109568 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LUeHhRS62e4
Name 2-[[2-(dicyanomethylene)cyclooctyl]-methylsulfanyl-methylene]propanedinitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16N4S
InChI InChI=1S/C16H16N4S/c1-21-16(13(10-19)11-20)15-7-5-3-2-4-6-14(15)12(8-17)9-18/h15H,2-7H2,1H3
InChIKey BXLVHSGJSIWMBF-UHFFFAOYSA-N
Instrument Name VG 7070E
Ionization Type EI positive ion
Literature Reference DOI 10.1016/S1044-0305(02)00905-4
Molecular Weight 296.392 g/mol
SMILES C1CCCCC(C(SC)=C(C#N)C#N)C(=C(C#N)C#N)C1
SPLASH splash10-0002-0090000000-85a1557180237f7bcce8
Source of Spectrum A7-14-191-4
Wiley ID 1859260