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Phthalic acid, 4-cyanophenyl 3,5-dimethylphenyl ester

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Phthalic acid, 4-cyanophenyl 3,5-dimethylphenyl ester
SpectraBase Compound ID AAaxMgqd1EE
InChI InChI=1S/C23H17NO4/c1-15-11-16(2)13-19(12-15)28-23(26)21-6-4-3-5-20(21)22(25)27-18-9-7-17(14-24)8-10-18/h3-13H,1-2H3
InChIKey JROWBHBEIKWYCO-UHFFFAOYSA-N
Mol Weight 371.39 g/mol
Molecular Formula C23H17NO4
Exact Mass 371.115758 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hrmxe6tztQU
Name Phthalic acid, 4-cyanophenyl 3,5-dimethylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 371.115758027 u
Formula C23H17NO4
InChI InChI=1S/C23H17NO4/c1-15-11-16(2)13-19(12-15)28-23(26)21-6-4-3-5-20(21)22(25)27-18-9-7-17(14-24)8-10-18/h3-13H,1-2H3
InChIKey JROWBHBEIKWYCO-UHFFFAOYSA-N
Molecular Weight 371.392 g/mol
SMILES C1=C(C=CC(=C1)C#N)OC(=O)C1=C(C=CC=C1)C(OC1=CC(C)=CC(C)=C1)=O