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trans-feruloyloxyhexacosanoic acid
SpectraBase Compound ID EdXSl7pFQZp
InChI InChI=1S/C36H60O6/c1-41-34-31-32(26-28-33(34)37)27-29-36(40)42-30-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-35(38)39/h26-29,31,37H,2-25,30H2,1H3,(H,38,39)/b29-27+
InChIKey CDRQYMNSIWQNJG-ORIPQNMZSA-N
Mol Weight 588.9 g/mol
Molecular Formula C36H60O6
Exact Mass 588.43899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3eWLVptTyi
Name trans-feruloyloxyhexacosanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H60O6
InChI InChI=1S/C36H60O6/c1-41-34-31-32(26-28-33(34)37)27-29-36(40)42-30-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-35(38)39/h26-29,31,37H,2-25,30H2,1H3,(H,38,39)/b29-27+
InChIKey CDRQYMNSIWQNJG-ORIPQNMZSA-N
Instrument Name Varian Saturn 2000
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1677
Molecular Weight 588.870 g/mol
SMILES Oc1ccc(\C=C\C(OCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O)=O)cc1OC
SPLASH splash10-002f-4900060000-d55bd4e06d7ef7b77e38
Source of Spectrum RCM-18-2695-Fig 7(a)
Wiley ID 1836366