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Ircinin-4
SpectraBase Compound ID ArrdbvL2SYI
InChI InChI=1S/C21H28O4/c1-16(5-3-7-17(2)11-21(22)23)6-4-8-18-12-20(25-15-18)13-19-9-10-24-14-19/h5,9-10,12,14-15,17H,3-4,6-8,11,13H2,1-2H3,(H,22,23)/b16-5+
InChIKey ZHCWVWHUMIPRDH-FZSIALSZSA-N
Mol Weight 344.45 g/mol
Molecular Formula C21H28O4
Exact Mass 344.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ZGdDa9ufsw
Name Ircinin-4
Alternate Name(s) (6E)-10-[5-(3-furylmethyl)-3-furyl]-3,7-dimethyl-6-decenoic acid 3-[9'-(Hydroxycarbonyl)-4',8'-dimethyl-4'-nonen-1'-yl]-5-[(3'-furanyl)methyl]furan
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Formula C21H28O4
InChI InChI=1S/C21H28O4/c1-16(5-3-7-17(2)11-21(22)23)6-4-8-18-12-20(25-15-18)13-19-9-10-24-14-19/h5,9-10,12,14-15,17H,3-4,6-8,11,13H2,1-2H3,(H,22,23)/b16-5+
InChIKey ZHCWVWHUMIPRDH-FZSIALSZSA-N
Molecular Weight 344.451 g/mol
SMILES OC(CC(CC\C=C\(CCCc1cc(oc1)Cc1cocc1)C)C)=O
SPLASH splash10-03di-1902000000-e418afd0055d7c7ddcb8
Source of Spectrum HE-1999-32-2
Wiley ID 1613442