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Irisquinone
SpectraBase Compound ID HN9lkX3deUM
InChI InChI=1S/C24H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-22(25)20-23(27-2)24(21)26/h8-9,19-20H,3-7,10-18H2,1-2H3/b9-8+
InChIKey YYCCUFKHCNSRIA-CMDGGOBGSA-N
Mol Weight 374.6 g/mol
Molecular Formula C24H38O3
Exact Mass 374.282095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 275evbwIFs
Name Irisquinone
Alternate Name(s) 2,5-Cyclohexadiene-1,4-dione, 2-(10-heptadecenyl)-6-methoxy-, (Z)- 2-[(E)-heptadec-10-enyl]-6-methoxy-1,4-benzoquinone 2-[(E)-heptadec-10-enyl]-6-methoxy-cyclohexa-2,5-diene-1,4-dione 2-[(E)-heptadec-10-enyl]-6-methoxy-p-benzoquinone 6-Methoxy-2-delta(sup 10')-cis-heptadecenyl-1,4-benzoquinone Pallasone BRN 2005301
CAS Registry Number 56495-82-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H38O3
InChI InChI=1S/C24H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-22(25)20-23(27-2)24(21)26/h8-9,19-20H,3-7,10-18H2,1-2H3/b9-8+
InChIKey YYCCUFKHCNSRIA-CMDGGOBGSA-N
Molecular Weight 374.565 g/mol
SMILES C=1(C(C(CCCCCCCCC\C=C\CCCCCC)=CC(C1)=O)=O)OC
SPLASH splash10-0l6r-6809000000-41e5a3bc4e63bbfafb64
Source of Spectrum J-57-3244-1
Wiley ID 1356954