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Phthalic acid, 4-cyanophenyl cyclohexylmethyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-cyanophenyl cyclohexylmethyl ester
SpectraBase Compound ID Dd9NHuv6wc8
InChI InChI=1S/C22H21NO4/c23-14-16-10-12-18(13-11-16)27-22(25)20-9-5-4-8-19(20)21(24)26-15-17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,15H2
InChIKey FYHZXMLYJGTPTK-UHFFFAOYSA-N
Mol Weight 363.41 g/mol
Molecular Formula C22H21NO4
Exact Mass 363.147058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KtZILjxE5hE
Name Phthalic acid, 4-cyanophenyl cyclohexylmethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 363.147058156 u
Formula C22H21NO4
InChI InChI=1S/C22H21NO4/c23-14-16-10-12-18(13-11-16)27-22(25)20-9-5-4-8-19(20)21(24)26-15-17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,15H2
InChIKey FYHZXMLYJGTPTK-UHFFFAOYSA-N
Molecular Weight 363.413 g/mol
SMILES C1=C(C(=CC=C1)C(OCC1CCCCC1)=O)C(OC1=CC=C(C=C1)C#N)=O