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benzyl 4-[4'-benzyloxy-2'-hydroxy-6'-(2''-oxoheptyl)-benzoyloxy]-2-methoxy-6-(2-oxoheptyl)benzoate
SpectraBase Compound ID 5pIgH5NwCvE
InChI InChI=1S/C43H48O9/c1-4-6-10-20-34(44)22-32-24-36(50-28-30-16-12-8-13-17-30)26-38(46)40(32)43(48)52-37-25-33(23-35(45)21-11-7-5-2)41(39(27-37)49-3)42(47)51-29-31-18-14-9-15-19-31/h8-9,12-19,24-27,46H,4-7,10-11,20-23,28-29H2,1-3H3
InChIKey BYFJLMIHRYVCGC-UHFFFAOYSA-N
Mol Weight 708.8 g/mol
Molecular Formula C43H48O9
Exact Mass 708.329833 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AkHKzeNMNtr
Name benzyl 4-[4'-benzyloxy-2'-hydroxy-6'-(2''-oxoheptyl)-benzoyloxy]-2-methoxy-6-(2-oxoheptyl)benzoate
Alternate Name(s) 4-[(benzyloxy)carbonyl]-3-methoxy-5-(2-oxoheptyl)phenyl 4-(benzyloxy)-2-hydroxy-6-(2-oxoheptyl)benzoate Benzyl 4-[4'-benzyloxy-2'-hydroxy-6'-(2''-oxoheptyl)-benzoyloxy]-2-methoxy-6-(2-oxoheptyl)benzoate Benzyl arthoniaiate
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Formula C43H48O9
InChI InChI=1S/C43H48O9/c1-4-6-10-20-34(44)22-32-24-36(50-28-30-16-12-8-13-17-30)26-38(46)40(32)43(48)52-37-25-33(23-35(45)21-11-7-5-2)41(39(27-37)49-3)42(47)51-29-31-18-14-9-15-19-31/h8-9,12-19,24-27,46H,4-7,10-11,20-23,28-29H2,1-3H3
InChIKey BYFJLMIHRYVCGC-UHFFFAOYSA-N
Molecular Weight 708.848 g/mol
SMILES Oc1c(C(Oc2cc(OC)c(c(c2)CC(=O)CCCCC)C(OCc2ccccc2)=O)=O)c(cc(c1)OCc1ccccc1)CC(=O)CCCCC
SPLASH splash10-0006-9000000000-a4da697633659b73ea05
Source of Spectrum B-50-484-32
Wiley ID 745672