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Hexacosanyl ferulate
SpectraBase Compound ID Fge5BgJaK4n
InChI InChI=1S/C36H62O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31-40-36(38)30-28-33-27-29-34(37)35(32-33)39-2/h27-30,32,37H,3-26,31H2,1-2H3/b30-28+
InChIKey LMNZEDXMWAJKBB-SJCQXOIGSA-N
Mol Weight 558.9 g/mol
Molecular Formula C36H62O4
Exact Mass 558.46481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 76XSSSeeG
Name Hexacosanyl ferulate
Alternate Name(s) (E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid hexacosyl ester Hexacosyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate Hexacosyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate Hexacosyl (E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate
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Formula C36H62O4
InChI InChI=1S/C36H62O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31-40-36(38)30-28-33-27-29-34(37)35(32-33)39-2/h27-30,32,37H,3-26,31H2,1-2H3/b30-28+
InChIKey LMNZEDXMWAJKBB-SJCQXOIGSA-N
Molecular Weight 558.888 g/mol
SMILES Oc1ccc(cc1OC)\C=C\C(=O)OCCCCCCCCCCCCCCCCCCCCCCCCCC
SPLASH splash10-0ugl-0900070000-d1a89efc773c8e572486
Source of Spectrum QA-45-106-6
Wiley ID 862778