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diphenyl (R)-2-((3,5-di-tert-butyl-4-hydroxyphenyl)(4-methoxyphenyl)methyl)malonate
SpectraBase Compound ID 3SJvmQ3a0sj
InChI InChI=1S/C37H40O6/c1-36(2,3)29-22-25(23-30(33(29)38)37(4,5)6)31(24-18-20-26(41-7)21-19-24)32(34(39)42-27-14-10-8-11-15-27)35(40)43-28-16-12-9-13-17-28/h8-23,31-32,38H,1-7H3/t31-/m1/s1
InChIKey CTPGROGANQPYFD-WJOKGBTCSA-N
Mol Weight 580.7 g/mol
Molecular Formula C37H40O6
Exact Mass 580.282489 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8QYnBKszXgc
Name diphenyl (R)-2-((3,5-di-tert-butyl-4-hydroxyphenyl)(4-methoxyphenyl)methyl)malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H40O6
InChI InChI=1S/C37H40O6/c1-36(2,3)29-22-25(23-30(33(29)38)37(4,5)6)31(24-18-20-26(41-7)21-19-24)32(34(39)42-27-14-10-8-11-15-27)35(40)43-28-16-12-9-13-17-28/h8-23,31-32,38H,1-7H3/t31-/m1/s1
InChIKey CTPGROGANQPYFD-WJOKGBTCSA-N
Literature Reference DOI 10.1002/anie.201303928
Molecular Weight 580.721 g/mol
SMILES Oc1c(cc(cc1C(C)(C)C)[C@](C(C(Oc1ccccc1)=O)C(Oc1ccccc1)=O)(c1ccc(cc1)OC)[H])C(C)(C)C
SPLASH splash10-004i-2009000000-e46392a1dde9bcf56e51
Source of Spectrum ACI-52-SMS17-3fa
Wiley ID 1781588