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Phthalic acid, isohexyl 2-propylphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, isohexyl 2-propylphenyl ester
SpectraBase Compound ID ElhR92OGePe
InChI InChI=1S/C23H28O4/c1-4-10-18-12-5-8-15-21(18)27-23(25)20-14-7-6-13-19(20)22(24)26-16-9-11-17(2)3/h5-8,12-15,17H,4,9-11,16H2,1-3H3
InChIKey HOKJUPZVPUZDAL-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 C27Jah8ip1M
Name Phthalic acid, isohexyl 2-propylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.198759378 u
Formula C23H28O4
InChI InChI=1S/C23H28O4/c1-4-10-18-12-5-8-15-21(18)27-23(25)20-14-7-6-13-19(20)22(24)26-16-9-11-17(2)3/h5-8,12-15,17H,4,9-11,16H2,1-3H3
InChIKey HOKJUPZVPUZDAL-UHFFFAOYSA-N
Molecular Weight 368.473 g/mol
SMILES C1(=CC=CC=C1C(OCCCC(C)C)=O)C(OC=1C(CCC)=CC=CC1)=O