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5,5-(2)H2]-(2E)-3,7,11,15-tetramethylhexadec-2-enal
SpectraBase Compound ID DpeUCn3D2Mx
InChI InChI=1S/C20H38O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15-19H,6-14H2,1-5H3/b20-15+/i8D2
InChIKey RAFZYSUICBQABU-KKGQSUPNSA-N
Mol Weight 296.5 g/mol
Molecular Formula C20H36D2O
Exact Mass 296.304819 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7omFwMeZ4Sx
Name 5,5-(2)H2]-(2E)-3,7,11,15-tetramethylhexadec-2-enal
Alternate Name(s) [D2]phytal (E)-3,7,11,15-tetramethylhexadec-2-enal-5,5-d2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H36D2O
InChI InChI=1S/C20H38O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15-19H,6-14H2,1-5H3/b20-15+/i8D2
InChIKey RAFZYSUICBQABU-KKGQSUPNSA-N
Literature Reference DOI 10.1002/cbic.201300247
Molecular Weight 296.535 g/mol
SMILES C([D])(CC(CCCC(CCCC(C)C)C)C)([D])C\C(=C\C=O)C
SPLASH splash10-05al-9100000000-7ecfe4229544c88a803b
Source of Spectrum CBC-14-1457-6
Wiley ID 1786796