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IRISOQUIN;2-HYDROXY-3-OCTADECYL-5-METHOXY-1,4-BENZOQUINONE
SpectraBase Compound ID Hb78J8hn1q2
InChI InChI=1S/C25H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(27)22(26)20-23(29-2)25(21)28/h20,27H,3-19H2,1-2H3
InChIKey VOJSRSKBOJBZEK-UHFFFAOYSA-N
Mol Weight 406.6 g/mol
Molecular Formula C25H42O4
Exact Mass 406.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 57rCaLSOg4
Name Irisoquin
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H42O4
InChI InChI=1S/C25H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(27)22(26)20-23(29-2)25(21)28/h20,27H,3-19H2,1-2H3
InChIKey VOJSRSKBOJBZEK-UHFFFAOYSA-N
Molecular Weight 406.607 g/mol
SMILES OC=1C(C=C(C(C1CCCCCCCCCCCCCCCCCC)=O)OC)=O
SPLASH splash10-0aor-0500900000-1f2233c6306805e352e2
Source of Spectrum U-1995-137-7
Synonyms 2-hydroxy-5-methoxy-3-octadecyl-1,4-benzoquinone 2-hydroxy-5-methoxy-3-octadecylcyclohexa-2,5-diene-1,4-dione 2-hydroxy-5-methoxy-3-stearyl-p-benzoquinone 5-methoxy-3-octadecyl-2-oxidanyl-cyclohexa-2,5-diene-1,4-dione
Wiley ID 766336