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Phthalic acid, 4-chlorophenyl 2-isopropylphenyl ester

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Phthalic acid, 4-chlorophenyl 2-isopropylphenyl ester
SpectraBase Compound ID LV7IRciVQuO
InChI InChI=1S/C23H19ClO4/c1-15(2)18-7-5-6-10-21(18)28-23(26)20-9-4-3-8-19(20)22(25)27-17-13-11-16(24)12-14-17/h3-15H,1-2H3
InChIKey ZFFIWZRQWZEDIU-UHFFFAOYSA-N
Mol Weight 394.85 g/mol
Molecular Formula C23H19ClO4
Exact Mass 394.097187 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AU9heLFJfFN
Name Phthalic acid, 4-chlorophenyl 2-isopropylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.097186788 u
Formula C23H19ClO4
InChI InChI=1S/C23H19ClO4/c1-15(2)18-7-5-6-10-21(18)28-23(26)20-9-4-3-8-19(20)22(25)27-17-13-11-16(24)12-14-17/h3-15H,1-2H3
InChIKey ZFFIWZRQWZEDIU-UHFFFAOYSA-N
Molecular Weight 394.854 g/mol
SMILES C1(=C(C=CC=C1)C(OC1=CC=C(C=C1)Cl)=O)C(OC1=CC=CC=C1C(C)C)=O