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Phthalic acid, 4-cyanophenyl 3-methylphenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-cyanophenyl 3-methylphenyl ester
SpectraBase Compound ID 3XP1dxxBY4d
InChI InChI=1S/C22H15NO4/c1-15-5-4-6-18(13-15)27-22(25)20-8-3-2-7-19(20)21(24)26-17-11-9-16(14-23)10-12-17/h2-13H,1H3
InChIKey SOHQTICHJOGMIG-UHFFFAOYSA-N
Mol Weight 357.37 g/mol
Molecular Formula C22H15NO4
Exact Mass 357.100108 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K1T49aQ0Kns
Name Phthalic acid, 4-cyanophenyl 3-methylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 357.100107963 u
Formula C22H15NO4
InChI InChI=1S/C22H15NO4/c1-15-5-4-6-18(13-15)27-22(25)20-8-3-2-7-19(20)21(24)26-17-11-9-16(14-23)10-12-17/h2-13H,1H3
InChIKey SOHQTICHJOGMIG-UHFFFAOYSA-N
Molecular Weight 357.365 g/mol
SMILES C1=CC=C(C(=C1)C(OC1=CC=C(C=C1)C#N)=O)C(OC1=CC(C)=CC=C1)=O