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[1,1'-Biphenyl]-4-yl 3,5-ditert-butylbenzoate

View entire compound with spectra: 2 MS (GC)

[1,1'-Biphenyl]-4-yl 3,5-ditert-butylbenzoate
SpectraBase Compound ID ECfWUgJk6Fx
InChI InChI=1S/C27H30O2/c1-26(2,3)22-16-21(17-23(18-22)27(4,5)6)25(28)29-24-14-12-20(13-15-24)19-10-8-7-9-11-19/h7-18H,1-6H3
InChIKey GWPSJILOOAICBZ-UHFFFAOYSA-N
Mol Weight 386.54 g/mol
Molecular Formula C27H30O2
Exact Mass 386.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L2FHtKZDeaI
Name [1,1'-Biphenyl]-4-yl 3,5-ditert-butylbenzoate
Alternate Name(s) (4-phenylphenyl) 3,5-ditert-butylbenzoate 3,5-Ditert-butylbenzoic acid (4-phenylphenyl) ester 4-Biphenylyl 3,5-di-tert-butylbenzoate
CAS Registry Number 293761-63-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30O2
InChI InChI=1S/C27H30O2/c1-26(2,3)22-16-21(17-23(18-22)27(4,5)6)25(28)29-24-14-12-20(13-15-24)19-10-8-7-9-11-19/h7-18H,1-6H3
InChIKey GWPSJILOOAICBZ-UHFFFAOYSA-N
Molecular Weight 386.535 g/mol
SMILES c1(ccc(cc1)OC(=O)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)-c1ccccc1
SPLASH splash10-014i-6790000000-86d1138053a7f6ae7119
Wiley ID 1468398