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3-ethoxy-4-(((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl)oxy)benzaldehyde
SpectraBase Compound ID C4IZrZPIOsx
InChI InChI=1S/C25H36O3/c1-6-27-25-18-23(19-26)15-16-24(25)28-17-9-14-22(5)13-8-12-21(4)11-7-10-20(2)3/h10,12,14-16,18-19H,6-9,11,13,17H2,1-5H3/b21-12+,22-14+
InChIKey OBFPURJBRFSHLI-QRCIITMISA-N
Mol Weight 384.6 g/mol
Molecular Formula C25H36O3
Exact Mass 384.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KU2rxuhrKFr
Name 3-ethoxy-4-(((3E,7E)-4,8,12-trimethyltrideca-3,7,11-trien-1-yl)oxy)benzaldehyde
Appearance Colorless liquid
Carrier Gas Helium
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Exact Mass 384.266445016 u
Formula C25H36O3
GC Oven Program Oven temp 250oC
InChI InChI=1S/C25H36O3/c1-6-27-25-18-23(19-26)15-16-24(25)28-17-9-14-22(5)13-8-12-21(4)11-7-10-20(2)3/h10,12,14-16,18-19H,6-9,11,13,17H2,1-5H3/b21-12+,22-14+
InChIKey OBFPURJBRFSHLI-QRCIITMISA-N
Inlet Type Splitless
Instrument Name GCMS
Ionization Type EI
Molecular Weight 384.560 g/mol
Quality 109
SMILES C(C)OC=1C=C(C=CC1OCC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C=O
SPLASH splash10-0159-9100000000-84b418a48c1becf6ca42
Source of Spectrum WO2023067040A1
Wiley ID 1897169