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Terephthalic acid, heptyl 2-isopropoxyphenyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, heptyl 2-isopropoxyphenyl ester
SpectraBase Compound ID BmTihYDou9u
InChI InChI=1S/C24H30O5/c1-4-5-6-7-10-17-27-23(25)19-13-15-20(16-14-19)24(26)29-22-12-9-8-11-21(22)28-18(2)3/h8-9,11-16,18H,4-7,10,17H2,1-3H3
InChIKey AJQDRZNFBGWVMP-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C24H30O5
Exact Mass 398.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9QgUB3YIjhy
Name Terephthalic acid, heptyl 2-isopropoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 398.209324061 u
Formula C24H30O5
InChI InChI=1S/C24H30O5/c1-4-5-6-7-10-17-27-23(25)19-13-15-20(16-14-19)24(26)29-22-12-9-8-11-21(22)28-18(2)3/h8-9,11-16,18H,4-7,10,17H2,1-3H3
InChIKey AJQDRZNFBGWVMP-UHFFFAOYSA-N
Molecular Weight 398.499 g/mol
SMILES C(OC(=O)C1=CC=C(C=C1)C(=O)OC1=CC=CC=C1OC(C)C)CCCCCC