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diphenyl (R)-2-((4-hydroxy-3,5-diiodophenyl)(phenyl)methyl)malonate
SpectraBase Compound ID CdSDEln4Bjq
InChI InChI=1S/C28H20I2O5/c29-22-16-19(17-23(30)26(22)31)24(18-10-4-1-5-11-18)25(27(32)34-20-12-6-2-7-13-20)28(33)35-21-14-8-3-9-15-21/h1-17,24-25,31H/t24-/m1/s1
InChIKey MSNHSXAKAWOFFV-XMMPIXPASA-N
Mol Weight 690.27 g/mol
Molecular Formula C28H20I2O5
Exact Mass 689.940014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 63pyWSZTOnX
Name diphenyl (R)-2-((4-hydroxy-3,5-diiodophenyl)(phenyl)methyl)malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H20I2O5
InChI InChI=1S/C28H20I2O5/c29-22-16-19(17-23(30)26(22)31)24(18-10-4-1-5-11-18)25(27(32)34-20-12-6-2-7-13-20)28(33)35-21-14-8-3-9-15-21/h1-17,24-25,31H/t24-/m1/s1
InChIKey MSNHSXAKAWOFFV-XMMPIXPASA-N
Literature Reference DOI 10.1002/anie.201303928
Molecular Weight 690.272 g/mol
SMILES Oc1c(cc(cc1I)[C@@](c1ccccc1)(C(C(=O)Oc1ccccc1)C(Oc1ccccc1)=O)[H])I
SPLASH splash10-0f79-7800910000-6794911e27bf20ce5656
Source of Spectrum ACI-52-SMS24-7
Wiley ID 1781603