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Dimethyl 3,4,5,6-Tetrakis[4-(1,1-dimethylethyl)phenyl]benzene-1,2-dicarboxylate

View entire compound with spectra: 1 MS (GC)

Dimethyl 3,4,5,6-Tetrakis[4-(1,1-dimethylethyl)phenyl]benzene-1,2-dicarboxylate
SpectraBase Compound ID 14x7bOO1zTq
InChI InChI=1S/C50H58O4/c1-47(2,3)35-23-15-31(16-24-35)39-40(32-17-25-36(26-18-32)48(4,5)6)42(34-21-29-38(30-22-34)50(10,11)12)44(46(52)54-14)43(45(51)53-13)41(39)33-19-27-37(28-20-33)49(7,8)9/h15-30H,1-14H3
InChIKey HTEWKZJYUKJPCL-UHFFFAOYSA-N
Mol Weight 723.0 g/mol
Molecular Formula C50H58O4
Exact Mass 722.43351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IJrQlYY1TN8
Name Dimethyl 3,4,5,6-Tetrakis[4-(1,1-dimethylethyl)phenyl]benzene-1,2-dicarboxylate
Alternate Name(s) Dimethyl 4,4''-di-tert-butyl-5',6'-bis(4-(tert-butyl)phenyl)-[1,1':2',1''-terphenyl]-3',4'-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C50H58O4
InChI InChI=1S/C50H58O4/c1-47(2,3)35-23-15-31(16-24-35)39-40(32-17-25-36(26-18-32)48(4,5)6)42(34-21-29-38(30-22-34)50(10,11)12)44(46(52)54-14)43(45(51)53-13)41(39)33-19-27-37(28-20-33)49(7,8)9/h15-30H,1-14H3
InChIKey HTEWKZJYUKJPCL-UHFFFAOYSA-N
Molecular Weight 723.010 g/mol
SMILES c1(C(OC)=O)c(C(=O)OC)c(-c2ccc(cc2)C(C)(C)C)c(-c2ccc(cc2)C(C)(C)C)c(-c2ccc(cc2)C(C)(C)C)c1-c1ccc(cc1)C(C)(C)C
SPLASH splash10-00di-0000111900-10627f29e79992499b19
Source of Spectrum H-96-412-5e
Wiley ID 1784683