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Isophthalic acid, 4-isopropylphenyl octyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 4-isopropylphenyl octyl ester
SpectraBase Compound ID F4NnqP7gf7x
InChI InChI=1S/C25H32O4/c1-4-5-6-7-8-9-17-28-24(26)21-11-10-12-22(18-21)25(27)29-23-15-13-20(14-16-23)19(2)3/h10-16,18-19H,4-9,17H2,1-3H3
InChIKey SLOXNMDPFUBJEL-UHFFFAOYSA-N
Mol Weight 396.5 g/mol
Molecular Formula C25H32O4
Exact Mass 396.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KzYyfXOdmdg
Name Isophthalic acid, 4-isopropylphenyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.230059506 u
Formula C25H32O4
InChI InChI=1S/C25H32O4/c1-4-5-6-7-8-9-17-28-24(26)21-11-10-12-22(18-21)25(27)29-23-15-13-20(14-16-23)19(2)3/h10-16,18-19H,4-9,17H2,1-3H3
InChIKey SLOXNMDPFUBJEL-UHFFFAOYSA-N
Molecular Weight 396.527 g/mol
SMILES C1=CC(OC(C2=CC(=CC=C2)C(OCCCCCCCC)=O)=O)=CC=C1C(C)C