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Terephthalic acid, 2-isopropoxyphenyl octyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 2-isopropoxyphenyl octyl ester
SpectraBase Compound ID 1i1edOnM94g
InChI InChI=1S/C25H32O5/c1-4-5-6-7-8-11-18-28-24(26)20-14-16-21(17-15-20)25(27)30-23-13-10-9-12-22(23)29-19(2)3/h9-10,12-17,19H,4-8,11,18H2,1-3H3
InChIKey UWGVMXLSUAZFHU-UHFFFAOYSA-N
Mol Weight 412.5 g/mol
Molecular Formula C25H32O5
Exact Mass 412.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IGChaFAx0PX
Name Terephthalic acid, 2-isopropoxyphenyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 412.224974125 u
Formula C25H32O5
InChI InChI=1S/C25H32O5/c1-4-5-6-7-8-11-18-28-24(26)20-14-16-21(17-15-20)25(27)30-23-13-10-9-12-22(23)29-19(2)3/h9-10,12-17,19H,4-8,11,18H2,1-3H3
InChIKey UWGVMXLSUAZFHU-UHFFFAOYSA-N
Molecular Weight 412.526 g/mol
SMILES C(OC(=O)C1=CC=C(C=C1)C(=O)OC1=CC=CC=C1OC(C)C)CCCCCCC