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4-(octylthio)benzene-1,2-dicarbonitrile

View entire compound with spectra: 1 MS (GC)

4-(octylthio)benzene-1,2-dicarbonitrile
SpectraBase Compound ID FV8IEP8uReH
InChI InChI=1S/C16H20N2S/c1-2-3-4-5-6-7-10-19-16-9-8-14(12-17)15(11-16)13-18/h8-9,11H,2-7,10H2,1H3
InChIKey IDRPTJJXSGHOKP-UHFFFAOYSA-N
Mol Weight 272.41 g/mol
Molecular Formula C16H20N2S
Exact Mass 272.13472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1oJ5Noa18i
Name 4-(octylthio)benzene-1,2-dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2S
InChI InChI=1S/C16H20N2S/c1-2-3-4-5-6-7-10-19-16-9-8-14(12-17)15(11-16)13-18/h8-9,11H,2-7,10H2,1H3
InChIKey IDRPTJJXSGHOKP-UHFFFAOYSA-N
Molecular Weight 272.410 g/mol
SMILES C(c1c(C#N)cc(cc1)SCCCCCCCC)#N
SPLASH splash10-05fr-9310000000-c7ec1a7b9d4fcfd9aef9
Source of Spectrum CV-2005-1145-2
Synonyms 4-Octylsulfanylbenzene-1,2-dicarbonitrile 4-Octylsulfanylphthalonitrile
Wiley ID 1611683