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Terephthalic acid, decyl 2-isopropylphenyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, decyl 2-isopropylphenyl ester
SpectraBase Compound ID F3CJrYWzvmf
InChI InChI=1S/C27H36O4/c1-4-5-6-7-8-9-10-13-20-30-26(28)22-16-18-23(19-17-22)27(29)31-25-15-12-11-14-24(25)21(2)3/h11-12,14-19,21H,4-10,13,20H2,1-3H3
InChIKey SZORGBVKJPEHQM-UHFFFAOYSA-N
Mol Weight 424.6 g/mol
Molecular Formula C27H36O4
Exact Mass 424.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 125KRvwf7ky
Name Terephthalic acid, decyl 2-isopropylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.261359635 u
Formula C27H36O4
InChI InChI=1S/C27H36O4/c1-4-5-6-7-8-9-10-13-20-30-26(28)22-16-18-23(19-17-22)27(29)31-25-15-12-11-14-24(25)21(2)3/h11-12,14-19,21H,4-10,13,20H2,1-3H3
InChIKey SZORGBVKJPEHQM-UHFFFAOYSA-N
Molecular Weight 424.581 g/mol
SMILES CCCCCCCCCCOC(C1=CC=C(C=C1)C(OC1=CC=CC=C1C(C)C)=O)=O