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diphenyl (S)-2-(benzo[d][1,3]dioxol-5-yl(3,5-di-tert-butyl-4-hydroxyphenyl)methyl)malonate
SpectraBase Compound ID BbG5agko2P4
InChI InChI=1S/C37H38O7/c1-36(2,3)27-19-24(20-28(33(27)38)37(4,5)6)31(23-17-18-29-30(21-23)42-22-41-29)32(34(39)43-25-13-9-7-10-14-25)35(40)44-26-15-11-8-12-16-26/h7-21,31-32,38H,22H2,1-6H3/t31-/m1/s1
InChIKey KUGJMLRUNDUDRS-WJOKGBTCSA-N
Mol Weight 594.7 g/mol
Molecular Formula C37H38O7
Exact Mass 594.261754 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DT9Q8zSDjDA
Name Diphenyl (S)-2-(benzo[D][1,3]dioxol-5-yl(3,5-di-tert-butyl-4-hydroxyphenyl)methyl)malonate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 594.261753557 u
Formula C37H38O7
InChI InChI=1S/C37H38O7/c1-36(2,3)27-19-24(20-28(33(27)38)37(4,5)6)31(23-17-18-29-30(21-23)42-22-41-29)32(34(39)43-25-13-9-7-10-14-25)35(40)44-26-15-11-8-12-16-26/h7-21,31-32,38H,22H2,1-6H3/t31-/m1/s1
InChIKey KUGJMLRUNDUDRS-WJOKGBTCSA-N
Molecular Weight 594.704 g/mol
SMILES C=1(C(=C(C=C(C1)[C@@](C1=CC2=C(C=C1)OCO2)(C(C(OC1=CC=CC=C1)=O)C(OC1=CC=CC=C1)=O)[H])C(C)(C)C)O)C(C)(C)C