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Diethyl bis(4-pivaloylbenzyl)malonate
SpectraBase Compound ID 8T4xLvSWKUC
InChI InChI=1S/C31H40O6/c1-9-36-27(34)31(28(35)37-10-2,19-21-11-15-23(16-12-21)25(32)29(3,4)5)20-22-13-17-24(18-14-22)26(33)30(6,7)8/h11-18H,9-10,19-20H2,1-8H3
InChIKey IVRFWIFJCNFJAS-UHFFFAOYSA-N
Mol Weight 508.7 g/mol
Molecular Formula C31H40O6
Exact Mass 508.282489 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Av4IYupRbCb
Name Diethyl 2,2-bis[4-(2,2-dimethylpropanoyl)benzyl]malonate
Alternate Name(s) Diethyl bis(4-pivaloylbenzyl)malonate 2,2-bis[[4-(2,2-dimethyl-1-oxopropyl)phenyl]methyl]propanedioic acid diethyl ester Diethyl 2,2-bis[[4-(2,2-dimethylpropanoyl)phenyl]methyl]propanedioate
CAS Registry Number 53780-45-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H40O6
InChI InChI=1S/C31H40O6/c1-9-36-27(34)31(28(35)37-10-2,19-21-11-15-23(16-12-21)25(32)29(3,4)5)20-22-13-17-24(18-14-22)26(33)30(6,7)8/h11-18H,9-10,19-20H2,1-8H3
InChIKey IVRFWIFJCNFJAS-UHFFFAOYSA-N
Molecular Weight 508.655 g/mol
SMILES C(C(C(OCC)=O)(C(OCC)=O)Cc1ccc(cc1)C(=O)C(C)(C)C)c1ccc(cc1)C(=O)C(C)(C)C
SPLASH splash10-0udi-2211900000-1bcc0188db93685f5c20
Source of Spectrum NP-15-7709-0
Wiley ID 1112831