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4,4-dimethyl-2-[(13E,20E,27E)-pentatriaconta-13,20,27-trienyl]-5H-oxazole
SpectraBase Compound ID 2bMHb8HJGX5
InChI InChI=1S/C40H73NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-40(2,3)38-42-39/h10-11,17-18,24-25H,4-9,12-16,19-23,26-38H2,1-3H3/b11-10+,18-17+,25-24+
InChIKey FHAFBGUHXHMFDI-GDRIHPSTSA-N
Mol Weight 584.0 g/mol
Molecular Formula C40H73NO
Exact Mass 583.569216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cnu5algXVuA
Name 4,4-dimethyl-2-[(13E,20E,27E)-pentatriaconta-13,20,27-trienyl]-5H-oxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H73NO
InChI InChI=1S/C40H73NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-40(2,3)38-42-39/h10-11,17-18,24-25H,4-9,12-16,19-23,26-38H2,1-3H3/b11-10+,18-17+,25-24+
InChIKey FHAFBGUHXHMFDI-GDRIHPSTSA-N
Ionization Type EI
Literature Reference DOI 10.1016/j.jasms.2006.01.015
Molecular Weight 584.030 g/mol
SMILES CC1(C)N=C(CCCCCCCCCCCC\C=C\CCCCC\C=C\CCCCC\C=C\CCCCCCC)OC1
SPLASH splash10-0ff0-0059550000-493659ac15ff3b02026e
Source of Spectrum A7-17-719-Fig 4b
Wiley ID 1857487