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Isophthalic acid, di(2-isopropoxyphenyl) ester

View entire compound with spectra: 1 NMR

Isophthalic acid, di(2-isopropoxyphenyl) ester
SpectraBase Compound ID Am2cH1RunmI
InChI InChI=1S/C26H26O6/c1-17(2)29-21-12-5-7-14-23(21)31-25(27)19-10-9-11-20(16-19)26(28)32-24-15-8-6-13-22(24)30-18(3)4/h5-18H,1-4H3
InChIKey MJPAAZKXNHVXHG-UHFFFAOYSA-N
Mol Weight 434.49 g/mol
Molecular Formula C26H26O6
Exact Mass 434.172939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kh1IyckqqDw
Name Isophthalic acid, di(2-isopropoxyphenyl) ester
Comments Computed using HOSE algorithm
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Exact Mass 434.172938551 u
Formula C26H26O6
InChI InChI=1S/C26H26O6/c1-17(2)29-21-12-5-7-14-23(21)31-25(27)19-10-9-11-20(16-19)26(28)32-24-15-8-6-13-22(24)30-18(3)4/h5-18H,1-4H3
InChIKey MJPAAZKXNHVXHG-UHFFFAOYSA-N
Molecular Weight 434.488 g/mol
SMILES C1=CC(OC(C2=CC(=CC=C2)C(OC2=C(C=CC=C2)OC(C)C)=O)=O)=C(C=C1)OC(C)C