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

SpectraBase Compound ID	CJYRtp6Sh0J
InChI	InChI=1S/C38H48O8/c1-4-6-8-10-15-19-28-22-32(25-34(41)35(28)37(42)45-26-27-17-13-12-14-18-27)46-38(43)36-29(23-31(44-3)24-33(36)40)21-30(39)20-16-11-9-7-5-2/h12-14,17-18,22-25,40-41H,4-11,15-16,19-21,26H2,1-3H3
InChIKey	WFSDJJWVBMCTTD-UHFFFAOYSA-N Google Search
Mol Weight	632.8 g/mol
Molecular Formula	C38H48O8
Exact Mass	632.334918 g/mol

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SpectraBase Spectrum ID	CUcLWy07gBE
Name	benzyl 6-heptyl-2-hydroxy-4-[2'-hydroxy-4'-methoxy-6'-(2''-oxononyl)benzoyloxy]benzoate
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C38H48O8
InChI	InChI=1S/C38H48O8/c1-4-6-8-10-15-19-28-22-32(25-34(41)35(28)37(42)45-26-27-17-13-12-14-18-27)46-38(43)36-29(23-31(44-3)24-33(36)40)21-30(39)20-16-11-9-7-5-2/h12-14,17-18,22-25,40-41H,4-11,15-16,19-21,26H2,1-3H3
InChIKey	WFSDJJWVBMCTTD-UHFFFAOYSA-N
Molecular Weight	632.794 g/mol
SMILES	Oc1cc(OC(c2c(cc(cc2CC(=O)CCCCCCC)OC)O)=O)cc(c1C(OCc1ccccc1)=O)CCCCCCC
SPLASH	splash10-0006-9000000000-158073c07364f38729fa
Source of Spectrum	JA-50-479-0
Synonyms	4-[(benzyloxy)carbonyl]-3-heptyl-5-hydroxyphenyl 2-hydroxy-4-methoxy-6-(2-oxononyl)benzoate Benzyl 6-heptyl-2-hydroxy-4-[2'-hydroxy-4'-methoxy-6'-(2''-oxononyl)benzoyloxy]benzoate
Wiley ID	1412209