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diphenyl (R)-2-((4-bromophenyl)(3,5-di-tert-butyl-4-hydroxyphenyl)methyl)malonate
SpectraBase Compound ID RJM7r7x7qW
InChI InChI=1S/C36H37BrO5/c1-35(2,3)28-21-24(22-29(32(28)38)36(4,5)6)30(23-17-19-25(37)20-18-23)31(33(39)41-26-13-9-7-10-14-26)34(40)42-27-15-11-8-12-16-27/h7-22,30-31,38H,1-6H3/t30-/m1/s1
InChIKey PAYMULMDXRHPPC-SSEXGKCCSA-N
Mol Weight 629.6 g/mol
Molecular Formula C36H37BrO5
Exact Mass 628.182437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KKelon0qv8C
Name diphenyl (R)-2-((4-bromophenyl)(3,5-di-tert-butyl-4-hydroxyphenyl)methyl)malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H37BrO5
InChI InChI=1S/C36H37BrO5/c1-35(2,3)28-21-24(22-29(32(28)38)36(4,5)6)30(23-17-19-25(37)20-18-23)31(33(39)41-26-13-9-7-10-14-26)34(40)42-27-15-11-8-12-16-27/h7-22,30-31,38H,1-6H3/t30-/m1/s1
InChIKey PAYMULMDXRHPPC-SSEXGKCCSA-N
Literature Reference DOI 10.1002/anie.201303928
Molecular Weight 629.591 g/mol
SMILES Oc1c(cc(cc1C(C)(C)C)[C@](C(C(Oc1ccccc1)=O)C(Oc1ccccc1)=O)(c1ccc(cc1)Br)[H])C(C)(C)C
SPLASH splash10-00b9-2009001000-9b7bd85e5b77ef3b8fea
Source of Spectrum ACI-52-SMS15-3ca
Wiley ID 1781585