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(E)-4-(3-{1-[2,5-Dioxo-4-(propan-2-ylidene)dihydrofuran-3(2H)-ylidene]ethyl}-2-methylbenzofuran-5-yloxy)butanoic Acid
SpectraBase Compound ID CqCrnCXAGjg
InChI InChI=1S/C22H22O7/c1-11(2)18-20(22(26)29-21(18)25)12(3)19-13(4)28-16-8-7-14(10-15(16)19)27-9-5-6-17(23)24/h7-8,10H,5-6,9H2,1-4H3,(H,23,24)/b20-12+
InChIKey ZRGMWPPSYBHZFA-UDWIEESQSA-N
Mol Weight 398.41 g/mol
Molecular Formula C22H22O7
Exact Mass 398.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LcAoM4ieQ6B
Name (E)-4-(3-{1-[2,5-Dioxo-4-(propan-2-ylidene)dihydrofuran-3(2H)-ylidene]ethyl}-2-methylbenzofuran-5-yloxy)butanoic Acid
Alternate Name(s) 4-[[3-[(1E)-1-(2,5-dioxo-4-propan-2-ylidene-3-oxolanylidene)ethyl]-2-methyl-5-benzofuranyl]oxy]butanoic acid 4-[[3-[(1E)-1-(2,5-dioxo-4-propan-2-ylideneoxolan-3-ylidene)ethyl]-2-methyl-1-benzofuran-5-yl]oxy]butanoic acid 4-[3-[(1E)-1-(4-isopropylidene-2,5-dioxo-tetrahydrofuran-3-ylidene)ethyl]-2-methyl-benzofuran-5-yl]oxybutanoic acid 4-[[3-[(1E)-1-[2,5-bis(oxidanylidene)-4-propan-2-ylidene-oxolan-3-ylidene]ethyl]-2-methyl-1-benzofuran-5-yl]oxy]butanoic acid
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Formula C22H22O7
InChI InChI=1S/C22H22O7/c1-11(2)18-20(22(26)29-21(18)25)12(3)19-13(4)28-16-8-7-14(10-15(16)19)27-9-5-6-17(23)24/h7-8,10H,5-6,9H2,1-4H3,(H,23,24)/b20-12+
InChIKey ZRGMWPPSYBHZFA-UDWIEESQSA-N
Molecular Weight 398.411 g/mol
SMILES OC(CCCOc1cc2c(\C(=C\3C(OC(C3=C(C)C)=O)=O)C)c(oc2cc1)C)=O
SPLASH splash10-0002-0298000000-463b326f6b4af0dfc5a1
Source of Spectrum U1-2011-4651-32
Wiley ID 1665925