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Dimethyl (R)-2-((3,5-di-tert-butyl-4-hydroxyphenyl)(phenyl)methyl)malonate

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Dimethyl (R)-2-((3,5-di-tert-butyl-4-hydroxyphenyl)(phenyl)methyl)malonate
SpectraBase Compound ID 50En0kSBeCE
InChI InChI=1S/C26H34O5/c1-25(2,3)18-14-17(15-19(22(18)27)26(4,5)6)20(16-12-10-9-11-13-16)21(23(28)30-7)24(29)31-8/h9-15,20-21,27H,1-8H3/t20-/m1/s1
InChIKey IVYNNHAUKVFGAH-HXUWFJFHSA-N
Mol Weight 426.6 g/mol
Molecular Formula C26H34O5
Exact Mass 426.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4hFbvbJl9gH
Name Dimethyl (R)-2-((3,5-di-tert-butyl-4-hydroxyphenyl)(phenyl)methyl)malonate
Comments Computed using HOSE algorithm
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Exact Mass 426.240624190 u
Formula C26H34O5
InChI InChI=1S/C26H34O5/c1-25(2,3)18-14-17(15-19(22(18)27)26(4,5)6)20(16-12-10-9-11-13-16)21(23(28)30-7)24(29)31-8/h9-15,20-21,27H,1-8H3/t20-/m1/s1
InChIKey IVYNNHAUKVFGAH-HXUWFJFHSA-N
Molecular Weight 426.553 g/mol
SMILES C=1(C(=C(C=C(C1)[C@@](C1=CC=CC=C1)(C(C(OC)=O)C(OC)=O)[H])C(C)(C)C)O)C(C)(C)C