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Phthalic acid, 3,5-dimethylphenyl 2-isopropylphenyl ester

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Phthalic acid, 3,5-dimethylphenyl 2-isopropylphenyl ester
SpectraBase Compound ID 30L96ZMO3mB
InChI InChI=1S/C25H24O4/c1-16(2)20-9-7-8-12-23(20)29-25(27)22-11-6-5-10-21(22)24(26)28-19-14-17(3)13-18(4)15-19/h5-16H,1-4H3
InChIKey NIPQMGRHHSEEAW-UHFFFAOYSA-N
Mol Weight 388.46 g/mol
Molecular Formula C25H24O4
Exact Mass 388.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 87b72g2dPuR
Name Phthalic acid, 3,5-dimethylphenyl 2-isopropylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 388.167459249 u
Formula C25H24O4
InChI InChI=1S/C25H24O4/c1-16(2)20-9-7-8-12-23(20)29-25(27)22-11-6-5-10-21(22)24(26)28-19-14-17(3)13-18(4)15-19/h5-16H,1-4H3
InChIKey NIPQMGRHHSEEAW-UHFFFAOYSA-N
Molecular Weight 388.463 g/mol
SMILES C1(=C(C=CC=C1)C(OC1=CC(C)=CC(C)=C1)=O)C(OC1=CC=CC=C1C(C)C)=O