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Phthalic acid, 2,3-dimethylphenyl octyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,3-dimethylphenyl octyl ester
SpectraBase Compound ID IgyAPX5iquu
InChI InChI=1S/C24H30O4/c1-4-5-6-7-8-11-17-27-23(25)20-14-9-10-15-21(20)24(26)28-22-16-12-13-18(2)19(22)3/h9-10,12-16H,4-8,11,17H2,1-3H3
InChIKey LKZUBSVJXTZQNY-UHFFFAOYSA-N
Mol Weight 382.5 g/mol
Molecular Formula C24H30O4
Exact Mass 382.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LJ98o7RqdJL
Name Phthalic acid, 2,3-dimethylphenyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.214409442 u
Formula C24H30O4
InChI InChI=1S/C24H30O4/c1-4-5-6-7-8-11-17-27-23(25)20-14-9-10-15-21(20)24(26)28-22-16-12-13-18(2)19(22)3/h9-10,12-16H,4-8,11,17H2,1-3H3
InChIKey LKZUBSVJXTZQNY-UHFFFAOYSA-N
Molecular Weight 382.500 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCC)=O)C(OC1=C(C(C)=CC=C1)C)=O