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methyl 4-(((3E,9Z)-dodeca-3,9-dien-1-yl)oxy)-2-hydroxy-3,6-dimethylbenzoate
SpectraBase Compound ID DSFSJVn3rSR
InChI InChI=1S/C22H32O4/c1-5-6-7-8-9-10-11-12-13-14-15-26-19-16-17(2)20(22(24)25-4)21(23)18(19)3/h6-7,12-13,16,23H,5,8-11,14-15H2,1-4H3/b7-6-,13-12+
InChIKey BRICKIXDOPNCDJ-NQFDUOLLSA-N
Mol Weight 360.5 g/mol
Molecular Formula C22H32O4
Exact Mass 360.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ne0M0A68kt
Name methyl 4-(((3E,9Z)-dodeca-3,9-dien-1-yl)oxy)-2-hydroxy-3,6-dimethylbenzoate
Appearance Clear slightly yellow liquid
Carrier Gas Helium
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Exact Mass 360.230059506 u
Formula C22H32O4
GC Oven Program Oven temp 250oC
InChI InChI=1S/C22H32O4/c1-5-6-7-8-9-10-11-12-13-14-15-26-19-16-17(2)20(22(24)25-4)21(23)18(19)3/h6-7,12-13,16,23H,5,8-11,14-15H2,1-4H3/b7-6-,13-12+
InChIKey BRICKIXDOPNCDJ-NQFDUOLLSA-N
Inlet Type Splitless
Instrument Name GCMS
Ionization Type EI
Molecular Weight 360.494 g/mol
Quality 162
SMILES OC1=C(C(OC)=O)C(=CC(=C1C)OCC\C=C\CCCC\C=C/CC)C
SPLASH splash10-03xs-7900000000-87fd283c2c70b2d3b662
Source of Spectrum WO2023067040A1
Wiley ID 1897220