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benzyl 2,4-di-O-benzyl-2'-O-methyllecanorate
SpectraBase Compound ID Dzeu6bVQ8eg
InChI InChI=1S/C38H34O7/c1-26-19-31(42-23-28-13-7-4-8-14-28)21-34(43-24-29-15-9-5-10-16-29)36(26)38(40)45-32-20-27(2)35(33(22-32)41-3)37(39)44-25-30-17-11-6-12-18-30/h4-22H,23-25H2,1-3H3
InChIKey PUAHVGLTZNSINZ-UHFFFAOYSA-N
Mol Weight 602.7 g/mol
Molecular Formula C38H34O7
Exact Mass 602.230453 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3zpFeMV9SDd
Name benzyl 2,4-di-O-benzyl-2'-O-methyllecanorate
Alternate Name(s) 4-[(benzyloxy)carbonyl]-3-methoxy-5-methylphenyl 2,4-bis(benzyloxy)-6-methylbenzoate
Comments Less than 3 mono-isotopic peaks
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Formula C38H34O7
InChI InChI=1S/C38H34O7/c1-26-19-31(42-23-28-13-7-4-8-14-28)21-34(43-24-29-15-9-5-10-16-29)36(26)38(40)45-32-20-27(2)35(33(22-32)41-3)37(39)44-25-30-17-11-6-12-18-30/h4-22H,23-25H2,1-3H3
InChIKey PUAHVGLTZNSINZ-UHFFFAOYSA-N
Molecular Weight 602.683 g/mol
SMILES c1(C(Oc2cc(OC)c(c(c2)C)C(OCc2ccccc2)=O)=O)c(cc(cc1C)OCc1ccccc1)OCc1ccccc1
SPLASH splash10-0006-9000000000-82ddb456dd4c986d732b
Source of Spectrum B-48-1761-0
Wiley ID 1410342