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1-Octadecanone, 1-(2,5-dihydroxy-4-octadecylphenyl)-
SpectraBase Compound ID 4cyWSK2AiY7
InChI InChI=1S/C42H76O3/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-38-36-42(45)39(37-41(38)44)40(43)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h36-37,44-45H,3-35H2,1-2H3
InChIKey UVJHCCQLQDVLTK-UHFFFAOYSA-N
Mol Weight 629.1 g/mol
Molecular Formula C42H76O3
Exact Mass 628.579446 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IVQUaJ9Kgsb
Name 1-Octadecanone, 1-(2,5-dihydroxy-4-octadecylphenyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H76O3
InChI InChI=1S/C42H76O3/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-38-36-42(45)39(37-41(38)44)40(43)35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h36-37,44-45H,3-35H2,1-2H3
InChIKey UVJHCCQLQDVLTK-UHFFFAOYSA-N
Molecular Weight 629.067 g/mol
SMILES Oc1c(cc(c(c1)CCCCCCCCCCCCCCCCCC)O)C(=O)CCCCCCCCCCCCCCCCC
SPLASH splash10-004i-7300109000-4fff22bfa7fd20305779
Source of Spectrum JX-2015-4-1350
Synonyms 1-(2,5-dihydroxy-4-octadecylphenyl)octadecan-1-one 1-(2,5-dihydroxy-4-octadecylphenyl)-1-octadecanone 1-(2,5-dihydroxy-4-octadecyl-phenyl)octadecan-1-one 1-[4-octadecyl-2,5-bis(oxidanyl)phenyl]octadecan-1-one
Wiley ID 1726738