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Isophthalic acid, isohexyl 2-propylphenyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, isohexyl 2-propylphenyl ester
SpectraBase Compound ID COxe5BJXSlz
InChI InChI=1S/C23H28O4/c1-4-9-18-11-5-6-14-21(18)27-23(25)20-13-7-12-19(16-20)22(24)26-15-8-10-17(2)3/h5-7,11-14,16-17H,4,8-10,15H2,1-3H3
InChIKey NLFDMCCBRRFAPQ-UHFFFAOYSA-N
Mol Weight 368.47 g/mol
Molecular Formula C23H28O4
Exact Mass 368.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3dHkjsMRmsT
Name Isophthalic acid, isohexyl 2-propylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 368.198759378 u
Formula C23H28O4
InChI InChI=1S/C23H28O4/c1-4-9-18-11-5-6-14-21(18)27-23(25)20-13-7-12-19(16-20)22(24)26-15-8-10-17(2)3/h5-7,11-14,16-17H,4,8-10,15H2,1-3H3
InChIKey NLFDMCCBRRFAPQ-UHFFFAOYSA-N
Molecular Weight 368.473 g/mol
SMILES C1(=CC=CC(=C1)C(=O)OCCCC(C)C)C(OC=1C(CCC)=CC=CC1)=O