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diphenyl (R)-2-((3-bromo-5-(tert-butyl)-4-hydroxyphenyl)(phenyl)methyl)malonate
SpectraBase Compound ID 2mnYOuTiWep
InChI InChI=1S/C32H29BrO5/c1-32(2,3)25-19-22(20-26(33)29(25)34)27(21-13-7-4-8-14-21)28(30(35)37-23-15-9-5-10-16-23)31(36)38-24-17-11-6-12-18-24/h4-20,27-28,34H,1-3H3/t27-/m1/s1
InChIKey OXFQMXHVUNXFFE-HHHXNRCGSA-N
Mol Weight 573.5 g/mol
Molecular Formula C32H29BrO5
Exact Mass 572.119837 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Xjk22xuYd2
Name diphenyl (R)-2-((3-bromo-5-(tert-butyl)-4-hydroxyphenyl)(phenyl)methyl)malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H29BrO5
InChI InChI=1S/C32H29BrO5/c1-32(2,3)25-19-22(20-26(33)29(25)34)27(21-13-7-4-8-14-21)28(30(35)37-23-15-9-5-10-16-23)31(36)38-24-17-11-6-12-18-24/h4-20,27-28,34H,1-3H3/t27-/m1/s1
InChIKey OXFQMXHVUNXFFE-HHHXNRCGSA-N
Literature Reference DOI 10.1002/anie.201303928
Molecular Weight 573.483 g/mol
SMILES Oc1c(cc(cc1C(C)(C)C)[C@@](c1ccccc1)(C(C(Oc1ccccc1)=O)C(Oc1ccccc1)=O)[H])Br
SPLASH splash10-014i-2009000000-bc84d2058628196e0f83
Source of Spectrum ACI-52-SMS22-3qa
Wiley ID 1781599