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4-Dodecylthiophthalonitrile

View entire compound with spectra: 1 MS (GC)

4-Dodecylthiophthalonitrile
SpectraBase Compound ID ELyiPMoneZQ
InChI InChI=1S/C20H28N2S/c1-2-3-4-5-6-7-8-9-10-11-14-23-20-13-12-18(16-21)19(15-20)17-22/h12-13,15H,2-11,14H2,1H3
InChIKey KRSPQAXVQZDRHN-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 60H76VjIE2B
Name 4-Dodecylthiophthalonitrile
Alternate Name(s) 4-(Dodecylsulfanyl)phthalonitrile 4-(dodecylthio)benzene-1,2-dicarbonitrile 4-Dodecylsulfanylphthalonitrile 4-Dodecylsulfanylbenzene-1,2-dicarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28N2S
InChI InChI=1S/C20H28N2S/c1-2-3-4-5-6-7-8-9-10-11-14-23-20-13-12-18(16-21)19(15-20)17-22/h12-13,15H,2-11,14H2,1H3
InChIKey KRSPQAXVQZDRHN-UHFFFAOYSA-N
Molecular Weight 328.518 g/mol
SMILES C(c1c(C#N)cc(cc1)SCCCCCCCCCCCC)#N
SPLASH splash10-05r1-9305000000-50d67e9e20ab57cfd4a3
Source of Spectrum CV-2005-1145-2
Wiley ID 1611682