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Benzyl 2,4-di-(O-benzyl)-3-benzyloxygyrophorate
SpectraBase Compound ID nyjRVaBZhk
InChI InChI=1S/C52H44O11/c1-33-24-40(27-42(53)45(33)50(55)61-32-39-22-14-7-15-23-39)62-51(56)46-34(2)25-41(28-43(46)54)63-52(57)47-35(3)26-44(58-29-36-16-8-4-9-17-36)48(59-30-37-18-10-5-11-19-37)49(47)60-31-38-20-12-6-13-21-38/h4-28,53-54H,29-32H2,1-3H3
InChIKey YCGHJPRSGDOBGL-UHFFFAOYSA-N
Mol Weight 844.9 g/mol
Molecular Formula C52H44O11
Exact Mass 844.288362 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHDj2i47FMr
Name Benzyl 2,4-di-(O-benzyl)-3-benzyloxygyrophorate
Alternate Name(s) 4-{4-[(benzyloxy)carbonyl]-3-hydroxy-5-methylphenoxycarbonyl}-3-hydroxy-5-methylphenyl 2,3,4-tris(benzyloxy)-6-methylbenzoate
Comments Less than 3 mono-isotopic peaks
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Formula C52H44O11
InChI InChI=1S/C52H44O11/c1-33-24-40(27-42(53)45(33)50(55)61-32-39-22-14-7-15-23-39)62-51(56)46-34(2)25-41(28-43(46)54)63-52(57)47-35(3)26-44(58-29-36-16-8-4-9-17-36)48(59-30-37-18-10-5-11-19-37)49(47)60-31-38-20-12-6-13-21-38/h4-28,53-54H,29-32H2,1-3H3
InChIKey YCGHJPRSGDOBGL-UHFFFAOYSA-N
Molecular Weight 844.913 g/mol
SMILES Oc1cc(cc(c1C(Oc1cc(c(c(c1)C)C(OCc1ccccc1)=O)O)=O)C)OC(c1c(c(OCc2ccccc2)c(cc1C)OCc1ccccc1)OCc1ccccc1)=O
SPLASH splash10-0006-9000000000-147974f25f5605661efd
Source of Spectrum B-51-1048-19
Wiley ID 745880