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3,15-Bis[4-pentanoyloxyphenyl]-(E)-2,14-dioxatetraspiro[4.0.5.0.4.0.5.0]docosa-3,15-diene-1,13-dione
SpectraBase Compound ID 1J4n4WeBo9f
InChI InChI=1S/C42H48O8/c1-3-5-13-35(43)47-31-19-15-29(16-20-31)33-27-41(37(45)49-33)39(23-9-7-10-24-39)42(40(41)25-11-8-12-26-40)28-34(50-38(42)46)30-17-21-32(22-18-30)48-36(44)14-6-4-2/h15-22,27-28H,3-14,23-26H2,1-2H3
InChIKey NCFJIKPBRKJSTE-UHFFFAOYSA-N
Mol Weight 680.8 g/mol
Molecular Formula C42H48O8
Exact Mass 680.334918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID VUpudz8QaG
Name 3,15-Bis[4-pentanoyloxyphenyl]-(E)-2,14-dioxatetraspiro[4.0.5.0.4.0.5.0]docosa-3,15-diene-1,13-dione
Alternate Name(s) 4-(1,13-Dioxo-15-[4-(pentanoyloxy)phenyl]-2,14-dioxatetraspiro[4.0.5.0.4.0.5.0]docosa-3,15-dien-3-yl)phenyl pentanoate Pentanoic acid [4-[4,13-dioxo-15-[4-(1-oxopentoxy)phenyl]-3,14-dioxatetraspiro[4.0.5^{6}.0.4^{12}.0.5^{17}.0^{5}]docosa-1,15-dien-2-yl]phenyl] ester [4-[4,13-dioxo-15-(4-pentanoyloxyphenyl)-3,14-dioxatetraspiro[4.0.5^{6}.0.4^{12}.0.5^{17}.0^{5}]docosa-1,15-dien-2-yl]phenyl] pentanoate [4-[4,13-bis(oxidanylidene)-15-(4-pentanoyloxyphenyl)-3,14-dioxatetraspiro[4.0.5^{6}.0.4^{12}.0.5^{17}.0^{5}]docosa-1,15-dien-2-yl]phenyl] pentanoate
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Formula C42H48O8
InChI InChI=1S/C42H48O8/c1-3-5-13-35(43)47-31-19-15-29(16-20-31)33-27-41(37(45)49-33)39(23-9-7-10-24-39)42(40(41)25-11-8-12-26-40)28-34(50-38(42)46)30-17-21-32(22-18-30)48-36(44)14-6-4-2/h15-22,27-28H,3-14,23-26H2,1-2H3
InChIKey NCFJIKPBRKJSTE-UHFFFAOYSA-N
Molecular Weight 680.838 g/mol
SMILES C(=O)(Oc1ccc(C=2OC(C3(C4(C5(C33CCCCC3)C=C(OC5=O)c3ccc(cc3)OC(=O)CCCC)CCCCC4)C2)=O)cc1)CCCC
SPLASH splash10-0a4i-2691000000-2e0eebbce98825f6e0cb
Wiley ID 1495203