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Ethyl (E)-3,6,7-trimethylocta-2,6-dienoate
SpectraBase Compound ID 5KhP1TlzBo1
InChI InChI=1S/C13H22O2/c1-6-15-13(14)9-11(4)7-8-12(5)10(2)3/h9H,6-8H2,1-5H3/b11-9+
InChIKey UJIQAVBFMSBWGZ-PKNBQFBNSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J5g3uzbksgK
Name Ethyl (E)-3,6,7-trimethylocta-2,6-dienoate
Appearance Colorless oil
Carrier Gas Helium (1.2 ml/min)
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Exact Mass 210.161979946 u
Formula C13H22O2
GC Column HP5-MS UI (30 m x 0.25 mm, film thickness 0.50 micrometer)
GC Oven Program Oven temp 320oC
InChI InChI=1S/C13H22O2/c1-6-15-13(14)9-11(4)7-8-12(5)10(2)3/h9H,6-8H2,1-5H3/b11-9+
InChIKey UJIQAVBFMSBWGZ-PKNBQFBNSA-N
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/chem.202100962
Molecular Weight 210.317 g/mol
Quality 227
Reported Formula C13H22O2
SMILES C(C)OC(\C=C\(CCC(=C(C)C)C)C)=O
SPLASH splash10-001i-9700000000-4cce5d526c3211aaa101
Source of Spectrum QE-27-SM5-S9 (DOI: 10.1002/chem.202100962)
Thin-Layer Chromatography 0.40 (cyclohexane/ethyl acetate, 10:1)
Wiley ID 1904053