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3-(dodecylthio)benzene-1,2-dicarbonitrile
SpectraBase Compound ID 90h47FAkYbe
InChI InChI=1S/C20H28N2S/c1-2-3-4-5-6-7-8-9-10-11-15-23-20-14-12-13-18(16-21)19(20)17-22/h12-14H,2-11,15H2,1H3
InChIKey UDCOJABDMIMLED-UHFFFAOYSA-N
Mol Weight 328.52 g/mol
Molecular Formula C20H28N2S
Exact Mass 328.19732 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 75F9Rw9kXof
Name 3-(dodecylthio)benzene-1,2-dicarbonitrile
Alternate Name(s) 3-(Laurylthio)phthalonitrile 3-Dodecylsulfanylbenzene-1,2-dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28N2S
InChI InChI=1S/C20H28N2S/c1-2-3-4-5-6-7-8-9-10-11-15-23-20-14-12-13-18(16-21)19(20)17-22/h12-14H,2-11,15H2,1H3
InChIKey UDCOJABDMIMLED-UHFFFAOYSA-N
Molecular Weight 328.518 g/mol
SMILES C(c1c(C#N)c(ccc1)SCCCCCCCCCCCC)#N
SPLASH splash10-0aos-9402000000-f589f4ccb5f691cb32b2
Source of Spectrum CV-2005-1145-2
Wiley ID 1611680