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(7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl 2-cyanoacetate
SpectraBase Compound ID CcyOpw3PODD
InChI InChI=1S/C19H29NO2/c1-16(2)8-5-9-17(3)10-6-11-18(4)12-7-15-22-19(21)13-14-20/h8,10,12H,5-7,9,11,13,15H2,1-4H3/b17-10+,18-12?
InChIKey PGSCMZJHIKOCMW-ADXPXAPNSA-N
Mol Weight 303.45 g/mol
Molecular Formula C19H29NO2
Exact Mass 303.219829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Wv6xZaZ6w0
Name (7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl 2-cyanoacetate
Appearance Brownish
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Formula C19H29NO2
InChI InChI=1S/C19H29NO2/c1-16(2)8-5-9-17(3)10-6-11-18(4)12-7-15-22-19(21)13-14-20/h8,10,12H,5-7,9,11,13,15H2,1-4H3/b17-10+,18-12?
InChIKey PGSCMZJHIKOCMW-ADXPXAPNSA-N
Instrument Name HP 7890A series-5975c
Ionization Type EI
Molecular Weight 303.446 g/mol
SMILES C(CC#N)(=O)OCCC=C(CC\C=C\(CCC=C(C)C)C)C
SPLASH splash10-014i-9200000000-581e5c1b335941c2201b
Sample Comments E/Z = 73:27
Source of Spectrum WO2015059293A1
Wiley ID 1850593