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Phthalic acid, 4-cyanophenyl 2-methylphenyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Phthalic acid, 4-cyanophenyl 2-methylphenyl ester
SpectraBase Compound ID K9iGveI6kqn
InChI InChI=1S/C22H15NO4/c1-15-6-2-5-9-20(15)27-22(25)19-8-4-3-7-18(19)21(24)26-17-12-10-16(14-23)11-13-17/h2-13H,1H3
InChIKey AOEXRRDYWJWPDO-UHFFFAOYSA-N
Mol Weight 357.37 g/mol
Molecular Formula C22H15NO4
Exact Mass 357.100108 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HFRVBnIjggt
Name Phthalic acid, 4-cyanophenyl 2-methylphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 357.100107963 u
Formula C22H15NO4
InChI InChI=1S/C22H15NO4/c1-15-6-2-5-9-20(15)27-22(25)19-8-4-3-7-18(19)21(24)26-17-12-10-16(14-23)11-13-17/h2-13H,1H3
InChIKey AOEXRRDYWJWPDO-UHFFFAOYSA-N
Molecular Weight 357.365 g/mol
SMILES C1(=C(C=CC=C1)C(OC1=CC=CC=C1C)=O)C(OC1=CC=C(C#N)C=C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.908057