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3-Octylthiophthalonitrile

View entire compound with spectra: 1 MS (GC)

3-Octylthiophthalonitrile
SpectraBase Compound ID c1k2RqXGgn
InChI InChI=1S/C16H20N2S/c1-2-3-4-5-6-7-11-19-16-10-8-9-14(12-17)15(16)13-18/h8-10H,2-7,11H2,1H3
InChIKey RCDYBLFVRDAJHG-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 FyMOWSV6LwU
Name 3-Octylthiophthalonitrile
Alternate Name(s) 3-(Octylsulfanyl)phthalonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N2S
InChI InChI=1S/C16H20N2S/c1-2-3-4-5-6-7-11-19-16-10-8-9-14(12-17)15(16)13-18/h8-10H,2-7,11H2,1H3
InChIKey RCDYBLFVRDAJHG-UHFFFAOYSA-N
Molecular Weight 272.410 g/mol
SMILES C(c1c(C#N)c(ccc1)SCCCCCCCC)#N
SPLASH splash10-074i-9320000000-91a5b32a253d8613634a
Source of Spectrum CV-2005-1145-2
Wiley ID 1611681