For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 60Hp4NXECaJ
Name diphenyl (S)-2-(benzo[d][1,3]dioxol-5-yl(3,5-di-tert-butyl-4-hydroxyphenyl)methyl)malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Literature Reference DOI 10.1002/anie.201303928
Molecular Weight 594.704 g/mol
SMILES Oc1c(cc(cc1C(C)(C)C)[C@@](c1cc2c(cc1)OCO2)(C(C(Oc1ccccc1)=O)C(Oc1ccccc1)=O)[H])C(C)(C)C
SPLASH splash10-000i-2009010000-6ad7fd11419ea0db7117
Source of Spectrum ACI-52-SMS18-3ia
Wiley ID 1781591