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Phthalic acid, 2-ethylhexyl 3-methylphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-ethylhexyl 3-methylphenyl ester
SpectraBase Compound ID BGSrFX76gVm
InChI InChI=1S/C23H28O4/c1-4-6-11-18(5-2)16-26-22(24)20-13-7-8-14-21(20)23(25)27-19-12-9-10-17(3)15-19/h7-10,12-15,18H,4-6,11,16H2,1-3H3
InChIKey IHALKXKEQKBUCJ-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 IiEqS3yC3ID
Name Phthalic acid, 2-ethylhexyl 3-methylphenyl 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/c1-4-6-11-18(5-2)16-26-22(24)20-13-7-8-14-21(20)23(25)27-19-12-9-10-17(3)15-19/h7-10,12-15,18H,4-6,11,16H2,1-3H3
InChIKey IHALKXKEQKBUCJ-UHFFFAOYSA-N
Molecular Weight 368.473 g/mol
SMILES C1=C(C(=CC=C1)C(OC1=CC(C)=CC=C1)=O)C(OCC(CCCC)CC)=O