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3-Methyl-4-(trideuteriomethoxy)-6-[(1E,7E,9E)-undeca-1,7,9-trienyl]-2-pyranone
SpectraBase Compound ID LYmeLZ23vqH
InChI InChI=1S/C18H24O3/c1-4-5-6-7-8-9-10-11-12-13-16-14-17(20-3)15(2)18(19)21-16/h4-7,12-14H,8-11H2,1-3H3/b5-4+,7-6+,13-12+/i3D3
InChIKey HABKBTVBKICYGZ-DOAQIZCLSA-N
Mol Weight 291.41 g/mol
Molecular Formula C18H21D3O3
Exact Mass 291.191375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E2qBmv2zPcJ
Name 3-Methyl-4-(trideuteriomethoxy)-6-[(1E,7E,9E)-undeca-1,7,9-trienyl]-2-pyranone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21D3O3
InChI InChI=1S/C18H24O3/c1-4-5-6-7-8-9-10-11-12-13-16-14-17(20-3)15(2)18(19)21-16/h4-7,12-14H,8-11H2,1-3H3/b5-4+,7-6+,13-12+/i3D3
InChIKey HABKBTVBKICYGZ-DOAQIZCLSA-N
Molecular Weight 291.405 g/mol
SMILES C1(=C(C(=O)OC(=C1)\C=C\CCCC\C=C\C=C\C)C)OC([D])([D])[D]
SPLASH splash10-05al-4920000000-6048cfbeadd80c653871
Source of Spectrum KC-0-1231-6
Synonyms 3-Methyl-4-(trideuteriomethoxy)-6-[(1E,7E,9E)-undeca-1,7,9-trienyl]pyran-2-one
Wiley ID 827802