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Terephthalic acid, 2-isopropylphenyl nonyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 2-isopropylphenyl nonyl ester
SpectraBase Compound ID GhffnPD7FZK
InChI InChI=1S/C26H34O4/c1-4-5-6-7-8-9-12-19-29-25(27)21-15-17-22(18-16-21)26(28)30-24-14-11-10-13-23(24)20(2)3/h10-11,13-18,20H,4-9,12,19H2,1-3H3
InChIKey ZLHPZUNOUNXABV-UHFFFAOYSA-N
Mol Weight 410.6 g/mol
Molecular Formula C26H34O4
Exact Mass 410.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID rnHAs9VSLM
Name Terephthalic acid, 2-isopropylphenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.245709571 u
Formula C26H34O4
InChI InChI=1S/C26H34O4/c1-4-5-6-7-8-9-12-19-29-25(27)21-15-17-22(18-16-21)26(28)30-24-14-11-10-13-23(24)20(2)3/h10-11,13-18,20H,4-9,12,19H2,1-3H3
InChIKey ZLHPZUNOUNXABV-UHFFFAOYSA-N
Molecular Weight 410.554 g/mol
SMILES C(COC(C1=CC=C(C=C1)C(OC1=CC=CC=C1C(C)C)=O)=O)CCCCCCC