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Benzoic acid, 4-(1,1-dimethylethyl)-, 1,3-phenylene ester

View entire compound with spectra: 1 NMR

Benzoic acid, 4-(1,1-dimethylethyl)-, 1,3-phenylene ester
SpectraBase Compound ID 26XQHeZqu6g
InChI InChI=1S/C28H30O4/c1-27(2,3)21-14-10-19(11-15-21)25(29)31-23-8-7-9-24(18-23)32-26(30)20-12-16-22(17-13-20)28(4,5)6/h7-18H,1-6H3
InChIKey AFAZGSWKIZVRSR-UHFFFAOYSA-N
Mol Weight 430.54 g/mol
Molecular Formula C28H30O4
Exact Mass 430.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Y3vLYWoNAe
Name Benzoic acid, 4-(1,1-dimethylethyl)-, 1,3-phenylene ester
Comments Computed using HOSE algorithm
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Exact Mass 430.214409442 u
Formula C28H30O4
InChI InChI=1S/C28H30O4/c1-27(2,3)21-14-10-19(11-15-21)25(29)31-23-8-7-9-24(18-23)32-26(30)20-12-16-22(17-13-20)28(4,5)6/h7-18H,1-6H3
InChIKey AFAZGSWKIZVRSR-UHFFFAOYSA-N
Molecular Weight 430.544 g/mol
SMILES C1=C(C=CC=C1OC(C1=CC=C(C=C1)C(C)(C)C)=O)OC(=O)C1=CC=C(C=C1)C(C)(C)C