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diphenyl (R)-2-((4-hydroxy-3,5-diisopropylphenyl)(phenyl)methyl)malonate
SpectraBase Compound ID 6QLxerbZewN
InChI InChI=1S/C34H34O5/c1-22(2)28-20-25(21-29(23(3)4)32(28)35)30(24-14-8-5-9-15-24)31(33(36)38-26-16-10-6-11-17-26)34(37)39-27-18-12-7-13-19-27/h5-23,30-31,35H,1-4H3/t30-/m1/s1
InChIKey VMNFLEBIRZPMPX-SSEXGKCCSA-N
Mol Weight 522.6 g/mol
Molecular Formula C34H34O5
Exact Mass 522.240624 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9WfrWr3vIju
Name diphenyl (R)-2-((4-hydroxy-3,5-diisopropylphenyl)(phenyl)methyl)malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H34O5
InChI InChI=1S/C34H34O5/c1-22(2)28-20-25(21-29(23(3)4)32(28)35)30(24-14-8-5-9-15-24)31(33(36)38-26-16-10-6-11-17-26)34(37)39-27-18-12-7-13-19-27/h5-23,30-31,35H,1-4H3/t30-/m1/s1
InChIKey VMNFLEBIRZPMPX-SSEXGKCCSA-N
Literature Reference DOI 10.1002/anie.201303928
Molecular Weight 522.641 g/mol
SMILES Oc1c(cc(cc1C(C)C)[C@@](c1ccccc1)(C(C(Oc1ccccc1)=O)C(Oc1ccccc1)=O)[H])C(C)C
SPLASH splash10-014i-1091010000-41abb676280fb0235132
Source of Spectrum ACI-52-SMS20-3ma
Wiley ID 1781595