For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-Octadecanone, 1-(3,6-dihydroxy-2-propylphenyl)-
SpectraBase Compound ID MdHI3O1zSx
InChI InChI=1S/C27H46O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25(29)27-23(19-4-2)24(28)21-22-26(27)30/h21-22,28,30H,3-20H2,1-2H3
InChIKey SJUBHOKMLYUUBL-UHFFFAOYSA-N
Mol Weight 418.7 g/mol
Molecular Formula C27H46O3
Exact Mass 418.344695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5GeIx5VIQnl
Name 1-Octadecanone, 1-(3,6-dihydroxy-2-propylphenyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O3
InChI InChI=1S/C27H46O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25(29)27-23(19-4-2)24(28)21-22-26(27)30/h21-22,28,30H,3-20H2,1-2H3
InChIKey SJUBHOKMLYUUBL-UHFFFAOYSA-N
Molecular Weight 418.662 g/mol
SMILES Oc1ccc(c(c1C(CCCCCCCCCCCCCCCCC)=O)CCC)O
SPLASH splash10-00or-3900400000-9483547521c6d3a4a91a
Source of Spectrum JX-2015-4-250
Synonyms 1-(3,6-dihydroxy-2-propylphenyl)octadecan-1-one 1-(3,6-dihydroxy-2-propylphenyl)-1-octadecanone 1-[3,6-bis(oxidanyl)-2-propyl-phenyl]octadecan-1-one
Wiley ID 1725698