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4-(((3E,9Z)-dodeca-3,9-dien-1-yl)oxy)-3-ethoxybenzaldehyde
SpectraBase Compound ID I0XKW1NK4mb
InChI InChI=1S/C21H30O3/c1-3-5-6-7-8-9-10-11-12-13-16-24-20-15-14-19(18-22)17-21(20)23-4-2/h5-6,11-12,14-15,17-18H,3-4,7-10,13,16H2,1-2H3/b6-5-,12-11+
InChIKey JJLVYDSBUNHBAO-OXHHXQHLSA-N
Mol Weight 330.47 g/mol
Molecular Formula C21H30O3
Exact Mass 330.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 94RdEGplZ9W
Name 4-(((3E,9Z)-dodeca-3,9-dien-1-yl)oxy)-3-ethoxybenzaldehyde
Appearance Clear colourless liquid
Carrier Gas Helium
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Formula C21H30O3
GC Oven Program Oven temp 250oC
InChI InChI=1S/C21H30O3/c1-3-5-6-7-8-9-10-11-12-13-16-24-20-15-14-19(18-22)17-21(20)23-4-2/h5-6,11-12,14-15,17-18H,3-4,7-10,13,16H2,1-2H3/b6-5-,12-11+
InChIKey JJLVYDSBUNHBAO-OXHHXQHLSA-N
Inlet Type Splitless
Instrument Name GCMS
Ionization Type EI
Molecular Weight 330.468 g/mol
Quality 243
SMILES C(C\C=C\CCCC\C=C/CC)OC1=C(C=C(C=C1)C=O)OCC
SPLASH splash10-066r-9300000000-e357ca1a1082679f5c73
Source of Spectrum WO2023067040A1
Wiley ID 1897219