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benzyl 6-heptyl-4-[2'-hydroxy-4'-methoxy-6'-{(2''-pentyl-1'',3''-dioxolan-2''-yl)methyl}benzoyloxy]-2-methoxybenzoate
SpectraBase Compound ID AH97QTmB3H8
InChI InChI=1S/C39H50O9/c1-5-7-9-10-14-18-29-22-32(25-34(44-4)36(29)37(41)45-27-28-16-12-11-13-17-28)48-38(42)35-30(23-31(43-3)24-33(35)40)26-39(19-15-8-6-2)46-20-21-47-39/h11-13,16-17,22-25,40H,5-10,14-15,18-21,26-27H2,1-4H3
InChIKey LAJZXMYTTWUIGV-UHFFFAOYSA-N
Mol Weight 662.8 g/mol
Molecular Formula C39H50O9
Exact Mass 662.345483 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A6k9q9a1uCJ
Name benzyl 6-heptyl-4-[2'-hydroxy-4'-methoxy-6'-{(2''-pentyl-1'',3''-dioxolan-2''-yl)methyl}benzoyloxy]-2-methoxybenzoate
Comments Less than 3 mono-isotopic peaks
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Formula C39H50O9
InChI InChI=1S/C39H50O9/c1-5-7-9-10-14-18-29-22-32(25-34(44-4)36(29)37(41)45-27-28-16-12-11-13-17-28)48-38(42)35-30(23-31(43-3)24-33(35)40)26-39(19-15-8-6-2)46-20-21-47-39/h11-13,16-17,22-25,40H,5-10,14-15,18-21,26-27H2,1-4H3
InChIKey LAJZXMYTTWUIGV-UHFFFAOYSA-N
Molecular Weight 662.820 g/mol
SMILES Oc1c(C(Oc2cc(OC)c(c(c2)CCCCCCC)C(OCc2ccccc2)=O)=O)c(CC2(OCCO2)CCCCC)cc(c1)OC
SPLASH splash10-0006-9000000000-737410097e93d7843e5c
Source of Spectrum B-50-482-19
Synonyms 4-[(benzyloxy)carbonyl]-3-heptyl-5-methoxyphenyl 2-hydroxy-4-methoxy-6-[(2-pentyl-1,3-dioxolan-2-yl)methyl]benzoate Benzyl 6-heptyl-4-[2'-hydroxy-4'-methoxy-6'-{(2''-pentyl-1'',3''-dioxolan-2''-yl)methyl}benzoyloxy]-2-methoxybenzoate Benzyl hyperconfluentate-ethylene acetal
Wiley ID 745684