Benzyl 4-[2'-hydroxy-4'-methoxy-6'-(2''-oxononyl)benzoyloxy]-2-methoxy-6-(2-oxononyl)benzoate

SpectraBase Compound ID	FdqrkbcxNBQ
InChI	InChI=1S/C41H52O9/c1-5-7-9-11-13-17-32(42)24-30-16-15-19-38(48-4)36(30)28-49-40(45)29-20-22-34(23-21-29)50-41(46)39-31(26-35(47-3)27-37(39)44)25-33(43)18-14-12-10-8-6-2/h15-16,19-23,26-27,44H,5-14,17-18,24-25,28H2,1-4H3
InChIKey	QJQWVKZGHAPPDB-UHFFFAOYSA-N Google Search
Mol Weight	688.9 g/mol
Molecular Formula	C41H52O9
Exact Mass	688.361133 g/mol

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SpectraBase Spectrum ID	6tyHP3H1rKw
Name	benzyl 4-[2'-hydroxy-4'-methoxy-6'-(2''-oxononyl)benzoyloxy]-2-methoxy-6-(2-oxononyl)benzoate
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C41H52O9
InChI	InChI=1S/C41H52O9/c1-5-7-9-11-13-17-32(42)24-30-16-15-19-38(48-4)36(30)28-49-40(45)29-20-22-34(23-21-29)50-41(46)39-31(26-35(47-3)27-37(39)44)25-33(43)18-14-12-10-8-6-2/h15-16,19-23,26-27,44H,5-14,17-18,24-25,28H2,1-4H3
InChIKey	QJQWVKZGHAPPDB-UHFFFAOYSA-N
Molecular Weight	688.858 g/mol
SMILES	Oc1c(C(Oc2ccc(C(OCc3c(CC(=O)CCCCCCC)cccc3OC)=O)cc2)=O)c(cc(c1)OC)CC(=O)CCCCCCC
SPLASH	splash10-03dl-0960000000-96610d00b4247088a34e
Source of Spectrum	JA-49-917-0
Synonyms	4-({[2-methoxy-6-(2-oxononyl)benzyl]oxy}carbonyl)phenyl 2-hydroxy-4-methoxy-6-(2-oxononyl)benzoate Benzyl 4-[2'-hydroxy-4'-methoxy-6'-(2''-oxononyl)benzoyloxy]-2-methoxy-6-(2-oxononyl)benzoate
Wiley ID	1414620