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4-Cyanobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester
SpectraBase Compound ID 4xTFwJptL38
InChI InChI=1S/C19H21NO2/c1-5-6-15(4)18(12-7-14(2)3)22-19(21)17-10-8-16(13-20)9-11-17/h8-11,15,18H,2,5-6H2,1,3-4H3
InChIKey ARBGFWDAVXOGHV-UHFFFAOYSA-N
Mol Weight 295.38 g/mol
Molecular Formula C19H21NO2
Exact Mass 295.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Z3gDeanzfp
Name 4-Cyanobenzoic acid, 2,6-dimethylnon-1-en-3-yn-5-yl ester
Alternate Name(s) 4-cyanobenzoic acid 2,6-dimethylnon-1-en-3-yn-5-yl ester [4-methyl-1-(1-methylbutyl)pent-4-en-2-ynyl] 4-cyanobenzoate 2,6-Dimethylnon-1-en-3-yn-5-yl 4-cyanobenzoate
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Formula C19H21NO2
InChI InChI=1S/C19H21NO2/c1-5-6-15(4)18(12-7-14(2)3)22-19(21)17-10-8-16(13-20)9-11-17/h8-11,15,18H,2,5-6H2,1,3-4H3
InChIKey ARBGFWDAVXOGHV-UHFFFAOYSA-N
Molecular Weight 295.382 g/mol
SMILES c1c(ccc(c1)C(OC(C(CCC)C)C#CC(=C)C)=O)C#N
SPLASH splash10-001i-3900000000-d4bde1b4bf45026b9346
Source of Spectrum NP-9-8101-0
Wiley ID 1108392