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Isophthalic acid, isohexyl 2-isopropoxyphenyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, isohexyl 2-isopropoxyphenyl ester
SpectraBase Compound ID 49a5ZZlLc6g
InChI InChI=1S/C23H28O5/c1-16(2)9-8-14-26-22(24)18-10-7-11-19(15-18)23(25)28-21-13-6-5-12-20(21)27-17(3)4/h5-7,10-13,15-17H,8-9,14H2,1-4H3
InChIKey KFLONDAZBWJKAY-UHFFFAOYSA-N
Mol Weight 384.47 g/mol
Molecular Formula C23H28O5
Exact Mass 384.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EaX5M0U6cAn
Name Isophthalic acid, isohexyl 2-isopropoxyphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 384.193673997 u
Formula C23H28O5
InChI InChI=1S/C23H28O5/c1-16(2)9-8-14-26-22(24)18-10-7-11-19(15-18)23(25)28-21-13-6-5-12-20(21)27-17(3)4/h5-7,10-13,15-17H,8-9,14H2,1-4H3
InChIKey KFLONDAZBWJKAY-UHFFFAOYSA-N
Molecular Weight 384.472 g/mol
SMILES C1=CC(OC(C2=CC(=CC=C2)C(OCCCC(C)C)=O)=O)=C(C=C1)OC(C)C