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Benzyl patagonate
SpectraBase Compound ID BVejUs9noqt
InChI InChI=1S/C32H36O8/c1-4-5-6-7-11-14-24(33)16-23-17-26(40-32(37)29-21(2)15-25(38-3)18-27(29)34)19-28(35)30(23)31(36)39-20-22-12-9-8-10-13-22/h8-10,12-13,15,17-19,34-35H,4-7,11,14,16,20H2,1-3H3
InChIKey UAQLOKSNRDEFFY-UHFFFAOYSA-N
Mol Weight 548.6 g/mol
Molecular Formula C32H36O8
Exact Mass 548.241018 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FJBUzkIxsNM
Name Benzyl patagonate
Comments Less than 3 mono-isotopic peaks
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Formula C32H36O8
InChI InChI=1S/C32H36O8/c1-4-5-6-7-11-14-24(33)16-23-17-26(40-32(37)29-21(2)15-25(38-3)18-27(29)34)19-28(35)30(23)31(36)39-20-22-12-9-8-10-13-22/h8-10,12-13,15,17-19,34-35H,4-7,11,14,16,20H2,1-3H3
InChIKey UAQLOKSNRDEFFY-UHFFFAOYSA-N
Molecular Weight 548.632 g/mol
SMILES Oc1cc(OC(c2c(cc(cc2C)OC)O)=O)cc(c1C(OCc1ccccc1)=O)CC(=O)CCCCCCC
SPLASH splash10-0006-9000000000-3b2ebd997a9cd541d140
Source of Spectrum B-47-1335-0
Synonyms 4-[(benzyloxy)carbonyl]-3-hydroxy-5-(2-oxononyl)phenyl 2-hydroxy-4-methoxy-6-methylbenzoate
Wiley ID 1405503