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Phthalic acid, hexyl 2-propylphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, hexyl 2-propylphenyl ester
SpectraBase Compound ID CDuV48NzDWS
InChI InChI=1S/C23H28O4/c1-3-5-6-11-17-26-22(24)19-14-8-9-15-20(19)23(25)27-21-16-10-7-13-18(21)12-4-2/h7-10,13-16H,3-6,11-12,17H2,1-2H3
InChIKey MUVDUOSWBPIJPS-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 6VsbKS1dO8s
Name Phthalic 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/c1-3-5-6-11-17-26-22(24)19-14-8-9-15-20(19)23(25)27-21-16-10-7-13-18(21)12-4-2/h7-10,13-16H,3-6,11-12,17H2,1-2H3
InChIKey MUVDUOSWBPIJPS-UHFFFAOYSA-N
Molecular Weight 368.473 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCC)=O)C(OC=1C(CCC)=CC=CC1)=O