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(E)-3-(2,7-dimethylene) yl-1-oxooct-2,6-dien-4-yl)-4-methylbenzonitrile
SpectraBase Compound ID 7MbWWxX38kk
InChI InChI=1S/C18H21NO/c1-13(2)5-8-17(9-14(3)12-20)18-10-16(11-19)7-6-15(18)4/h5-7,9-10,12,17H,8H2,1-4H3/b14-9+
InChIKey CKCBEVFEKFBRFX-NTEUORMPSA-N
Mol Weight 267.37 g/mol
Molecular Formula C18H21NO
Exact Mass 267.162314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3zohDaqPPwC
Name (E)-3-(2,7-dimethylene) yl-1-oxooct-2,6-dien-4-yl)-4-methylbenzonitrile
Appearance Pale yellow oil
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Formula C18H21NO
InChI InChI=1S/C18H21NO/c1-13(2)5-8-17(9-14(3)12-20)18-10-16(11-19)7-6-15(18)4/h5-7,9-10,12,17H,8H2,1-4H3/b14-9+
InChIKey CKCBEVFEKFBRFX-NTEUORMPSA-N
Instrument Name GCMS
Ionization Type EI
Molecular Weight 267.372 g/mol
SMILES Cc1c(cc(C#N)cc1)C(\C=C\(C=O)C)CC=C(C)C
SPLASH splash10-00kb-4900000000-8e8144c0d4c80e5cc7a7
Source of Spectrum CN114761385A
Wiley ID 1884554