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Ethyl-cyano(2-[3-butyl{2-methyl-(4-cyclohex-4-yliden)}]cyclopentylidene)ethanoate
SpectraBase Compound ID DDBjz4MXIse
InChI InChI=1S/C20H29NO2/c1-4-23-20(22)19(13-21)18-7-5-6-17(18)12-15(3)16-10-8-14(2)9-11-16/h8,15-17H,4-7,9-12H2,1-3H3
InChIKey ULBAVEJJNHACEH-UHFFFAOYSA-N
Mol Weight 315.46 g/mol
Molecular Formula C20H29NO2
Exact Mass 315.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JThGt3hQsvj
Name Ethyl-cyano(2-[3-butyl{2-methyl-(4-cyclohex-4-yliden)}]cyclopentylidene)ethanoate
Appearance Pale yellow oil
Carrier Gas Helium
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Formula C20H29NO2
GC Oven Program Oven temp 320 oC, Split injector
InChI InChI=1S/C20H29NO2/c1-4-23-20(22)19(13-21)18-7-5-6-17(18)12-15(3)16-10-8-14(2)9-11-16/h8,15-17H,4-7,9-12H2,1-3H3
InChIKey ULBAVEJJNHACEH-UHFFFAOYSA-N
Instrument Name Optima 5 Accent 815
Ionization Type EI
Molecular Weight 315.457 g/mol
SMILES C(C1CCC(=CC1)C)(CC1CCCC1=C(C(OCC)=O)C#N)C
SPLASH splash10-00rw-9300000000-8d1e532ad21af3201394
Source of Spectrum EP3853203A1
Thin-Layer Chromatography Rf = 0.45 (10% EtOAc in hexane +1% Et3N)
Wiley ID 1879910