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Isophthalic acid, hexyl 2-propylphenyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, hexyl 2-propylphenyl ester
SpectraBase Compound ID xohwy0YCqC
InChI InChI=1S/C23H28O4/c1-3-5-6-9-16-26-22(24)19-13-10-14-20(17-19)23(25)27-21-15-8-7-12-18(21)11-4-2/h7-8,10,12-15,17H,3-6,9,11,16H2,1-2H3
InChIKey PDKBSWSMSMCNIN-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 FgF1BYIf8qt
Name Isophthalic acid, hexyl 2-propylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 368.198759378 u
Formula C23H28O4
InChI InChI=1S/C23H28O4/c1-3-5-6-9-16-26-22(24)19-13-10-14-20(17-19)23(25)27-21-15-8-7-12-18(21)11-4-2/h7-8,10,12-15,17H,3-6,9,11,16H2,1-2H3
InChIKey PDKBSWSMSMCNIN-UHFFFAOYSA-N
Molecular Weight 368.473 g/mol
SMILES C1(=CC=CC(=C1)C(=O)OCCCCCC)C(OC=1C(CCC)=CC=CC1)=O