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(7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl 2,2,2-trichloroacetate
SpectraBase Compound ID 8n32z6rwquH
InChI InChI=1S/C18H27Cl3O2/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-23-17(22)18(19,20)21/h8,10,12H,5-7,9,11,13H2,1-4H3/b15-10+,16-12?
InChIKey NGEAWAIMPGJWAV-AJXWQLJOSA-N
Mol Weight 381.77 g/mol
Molecular Formula C18H27Cl3O2
Exact Mass 380.107663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LHsr1RwP7kP
Name (7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl 2,2,2-trichloroacetate
Appearance Yellowish oil
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Formula C18H27Cl3O2
InChI InChI=1S/C18H27Cl3O2/c1-14(2)8-5-9-15(3)10-6-11-16(4)12-7-13-23-17(22)18(19,20)21/h8,10,12H,5-7,9,11,13H2,1-4H3/b15-10+,16-12?
InChIKey NGEAWAIMPGJWAV-AJXWQLJOSA-N
Instrument Name HP 7890A series-5975c
Ionization Type EI
Molecular Weight 381.771 g/mol
SMILES C(C(Cl)(Cl)Cl)(=O)OCCC=C(CC\C=C\(CCC=C(C)C)C)C
SPLASH splash10-014i-9200000000-3dc7abe2c041726e3800
Sample Comments E/Z = 75:25
Source of Spectrum WO2015059293A1
Wiley ID 1850592