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4,5-Bis(octylthio)phthalonitrile
SpectraBase Compound ID CzggzL942Yh
InChI InChI=1S/C24H36N2S2/c1-3-5-7-9-11-13-15-27-23-17-21(19-25)22(20-26)18-24(23)28-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3
InChIKey DSZPHJYPCSFZCW-UHFFFAOYSA-N
Mol Weight 416.7 g/mol
Molecular Formula C24H36N2S2
Exact Mass 416.231992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fk1Is7vF3XD
Name 4,5-Bis(octylthio)phthalonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36N2S2
InChI InChI=1S/C24H36N2S2/c1-3-5-7-9-11-13-15-27-23-17-21(19-25)22(20-26)18-24(23)28-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3
InChIKey DSZPHJYPCSFZCW-UHFFFAOYSA-N
Molecular Weight 416.686 g/mol
SMILES C(c1c(C#N)cc(c(c1)SCCCCCCCC)SCCCCCCCC)#N
SPLASH splash10-014j-9503200000-0a891b49979f079ad530
Source of Spectrum CV-2005-1145-2
Synonyms 4,5-Bis(octylsulfanyl)phthalonitrile 4,5-bis(octylthio)benzene-1,2-dicarbonitrile
Wiley ID 1611632