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Ethyl (4,4-(2)H2)-(2E,6E)-7,11-dimethyl-3-((2)H3-methyl)dodeca-2,6,10-trienoate
SpectraBase Compound ID Ky9NnA39OzJ
InChI InChI=1S/C17H28O2/c1-6-19-17(18)13-16(5)12-8-11-15(4)10-7-9-14(2)3/h9,11,13H,6-8,10,12H2,1-5H3/b15-11+,16-13+/i5D3,12D2
InChIKey RAVLTUCAFRTDRY-SKYZQEMTSA-N
Mol Weight 269.44 g/mol
Molecular Formula C17H23D5O2
Exact Mass 269.240314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LZZVSMQI9W5
Name Ethyl (4,4-(2)H2)-(2E,6E)-7,11-dimethyl-3-((2)H3-methyl)dodeca-2,6,10-trienoate
Appearance Colorless oil
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 269.240313869 u
Formula C17H23D5O2
GC Oven Program Oven temp 320 oC
InChI InChI=1S/C17H28O2/c1-6-19-17(18)13-16(5)12-8-11-15(4)10-7-9-14(2)3/h9,11,13H,6-8,10,12H2,1-5H3/b15-11+,16-13+/i5D3,12D2
InChIKey RAVLTUCAFRTDRY-SKYZQEMTSA-N
Inlet Type split or splitless injector
Instrument Name Agilent HP 7890B GC-5977A inert mass detector
Ionization Type EI
Literature Reference DOI 10.1002/anie.202117273
Molecular Weight 269.440 g/mol
Quality 232
SMILES CC(C)=CCC\C(=C\CC(\C(C([D])([D])[D])=C\C(OCC)=O)([D])[D])C
SPLASH splash10-014i-9200000000-e728009a5bf9ee3017bb
Source of Spectrum ACI-61-SM124-(2E)-S4 (DOI: 10.1002/anie.202117273)
Thin-Layer Chromatography 0.74 (cyclohexane/ethyl acetate, 90:10)
Wiley ID 1897537