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3-[2',7'-Dimethylocta-2',6'-dienyl)-benzonitrile
SpectraBase Compound ID 1WbCSlBtyxV
InChI InChI=1S/C17H21N/c1-14(2)7-4-5-8-15(3)11-16-9-6-10-17(12-16)13-18/h6-10,12H,4-5,11H2,1-3H3/b15-8+
InChIKey YAYNNFABKVDJIN-OVCLIPMQSA-N
Mol Weight 239.36 g/mol
Molecular Formula C17H21N
Exact Mass 239.1674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EsF4mwbcAze
Name 3-[2',7'-Dimethylocta-2',6'-dienyl)-benzonitrile
Alternate Name(s) 3-[(2E)-2,7-dimethyl-2,6-octadienyl]benzonitrile 3-[3',7'-Dimethylocta-2',6'-dienyl)-benzonitrile
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Formula C17H21N
InChI InChI=1S/C17H21N/c1-14(2)7-4-5-8-15(3)11-16-9-6-10-17(12-16)13-18/h6-10,12H,4-5,11H2,1-3H3/b15-8+
InChIKey YAYNNFABKVDJIN-OVCLIPMQSA-N
Molecular Weight 239.362 g/mol
SMILES C(#N)c1cc(C\C(=C\CCC=C(C)C)C)ccc1
SPLASH splash10-014i-9300000000-ff68f6e13a73ec12830e
Source of Spectrum D1-2007-1386-3
Wiley ID 1639419