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1-(4-Isopropyl-5-methoxy-2-methylphenyl)-5,5-dimethylhepta-1,6-diene-7-carbonitrile
SpectraBase Compound ID 5OcO2iI3GQn
InChI InChI=1S/C21H29NO/c1-16(2)19-14-17(3)18(15-20(19)23-6)10-7-8-11-21(4,5)12-9-13-22/h7,9-10,12,14-16H,8,11H2,1-6H3/b10-7+,12-9+
InChIKey BGAXAERYCWXXJS-NWABJRNTSA-N
Mol Weight 311.47 g/mol
Molecular Formula C21H29NO
Exact Mass 311.224915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzYfsGQgonA
Name 1-(4-Isopropyl-5-methoxy-2-methylphenyl)-5,5-dimethylhepta-1,6-diene-7-carbonitrile
Alternate Name(s) (2E,7E)-8-(4-isopropyl-5-methoxy-2-methylphenyl)-4,4-dimethyl-2,7-octadienenitrile
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Formula C21H29NO
InChI InChI=1S/C21H29NO/c1-16(2)19-14-17(3)18(15-20(19)23-6)10-7-8-11-21(4,5)12-9-13-22/h7,9-10,12,14-16H,8,11H2,1-6H3/b10-7+,12-9+
InChIKey BGAXAERYCWXXJS-NWABJRNTSA-N
Molecular Weight 311.469 g/mol
SMILES c1(cc(C)c(cc1OC)\C=C\CCC(\C=C\C#N)(C)C)C(C)C
SPLASH splash10-053u-9141000000-dee57784d13cc5320ddb
Source of Spectrum KC-0-3534-9
Wiley ID 823892