benzyl 4-[4'-benzyloxy-2'-methoxy-6'-(2''-oxononyl)benzoyloxy]-2-methoxy-6-(2-oxononyl)benzoate

SpectraBase Compound ID	GLhvwKW1GyK
InChI	InChI=1S/C48H58O9/c1-5-7-9-11-19-25-39(49)27-37-29-41(55-33-35-21-15-13-16-22-35)31-43(53-3)46(37)48(52)57-42-30-38(28-40(50)26-20-12-10-8-6-2)45(44(32-42)54-4)47(51)56-34-36-23-17-14-18-24-36/h13-18,21-24,29-32H,5-12,19-20,25-28,33-34H2,1-4H3
InChIKey	GJYSGFRPKDIASW-UHFFFAOYSA-N Google Search
Mol Weight	779.0 g/mol
Molecular Formula	C48H58O9
Exact Mass	778.408083 g/mol

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SpectraBase Spectrum ID	8NqrbzBW861
Name	benzyl 4-[4'-benzyloxy-2'-methoxy-6'-(2''-oxononyl)benzoyloxy]-2-methoxy-6-(2-oxononyl)benzoate
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C48H58O9
InChI	InChI=1S/C48H58O9/c1-5-7-9-11-19-25-39(49)27-37-29-41(55-33-35-21-15-13-16-22-35)31-43(53-3)46(37)48(52)57-42-30-38(28-40(50)26-20-12-10-8-6-2)45(44(32-42)54-4)47(51)56-34-36-23-17-14-18-24-36/h13-18,21-24,29-32H,5-12,19-20,25-28,33-34H2,1-4H3
InChIKey	GJYSGFRPKDIASW-UHFFFAOYSA-N
Molecular Weight	778.983 g/mol
SMILES	c1(C(Oc2cc(OC)c(c(c2)CC(=O)CCCCCCC)C(OCc2ccccc2)=O)=O)c(cc(cc1OC)OCc1ccccc1)CC(=O)CCCCCCC
SPLASH	splash10-0006-9000000000-4dca629947b6fb3e40e3
Source of Spectrum	JA-49-917-0
Synonyms	4-[(benzyloxy)carbonyl]-3-methoxy-5-(2-oxononyl)phenyl 4-(benzyloxy)-2-methoxy-6-(2-oxononyl)benzoate Benzyl 4-[4'-benzyloxy-2'-methoxy-6'-(2''-oxononyl)benzoyloxy]-2-methoxy-6-(2-oxononyl)benzoate
Wiley ID	1416864