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diphenyl (R)-2-((3,5-di-tert-butyl-4-hydroxyphenyl)(phenyl)methyl)malonate
SpectraBase Compound ID IyNqFaDviUV
InChI InChI=1S/C36H38O5/c1-35(2,3)28-22-25(23-29(32(28)37)36(4,5)6)30(24-16-10-7-11-17-24)31(33(38)40-26-18-12-8-13-19-26)34(39)41-27-20-14-9-15-21-27/h7-23,30-31,37H,1-6H3/t30-/m1/s1
InChIKey XEIITHKSBQXMPB-SSEXGKCCSA-N
Mol Weight 550.7 g/mol
Molecular Formula C36H38O5
Exact Mass 550.271924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7zaOmy3rL93
Name diphenyl (R)-2-((3,5-di-tert-butyl-4-hydroxyphenyl)(phenyl)methyl)malonate
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Formula C36H38O5
InChI InChI=1S/C36H38O5/c1-35(2,3)28-22-25(23-29(32(28)37)36(4,5)6)30(24-16-10-7-11-17-24)31(33(38)40-26-18-12-8-13-19-26)34(39)41-27-20-14-9-15-21-27/h7-23,30-31,37H,1-6H3/t30-/m1/s1
InChIKey XEIITHKSBQXMPB-SSEXGKCCSA-N
Literature Reference DOI 10.1002/anie.201303928
Molecular Weight 550.695 g/mol
SMILES Oc1c(C(C)(C)C)cc(cc1C(C)(C)C)[C@](C(C(Oc1ccccc1)=O)C(Oc1ccccc1)=O)(c1ccccc1)[H]
SPLASH splash10-0002-2090010000-3ebc7aacc3787337168e
Source of Spectrum ACI-52-SMS11-3aa
Wiley ID 1781576