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Phthalic acid, cyclohexyl 4-formylphenyl ester

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Phthalic acid, cyclohexyl 4-formylphenyl ester
SpectraBase Compound ID CXI7UeD6YaO
InChI InChI=1S/C21H20O5/c22-14-15-10-12-17(13-11-15)26-21(24)19-9-5-4-8-18(19)20(23)25-16-6-2-1-3-7-16/h4-5,8-14,16H,1-3,6-7H2
InChIKey QVKKETUPVUYRHA-UHFFFAOYSA-N
Mol Weight 352.39 g/mol
Molecular Formula C21H20O5
Exact Mass 352.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FWkbZcE9qS1
Name Phthalic acid, cyclohexyl 4-formylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.131073739 u
Formula C21H20O5
InChI InChI=1S/C21H20O5/c22-14-15-10-12-17(13-11-15)26-21(24)19-9-5-4-8-18(19)20(23)25-16-6-2-1-3-7-16/h4-5,8-14,16H,1-3,6-7H2
InChIKey QVKKETUPVUYRHA-UHFFFAOYSA-N
Molecular Weight 352.386 g/mol
SMILES C1=C(C=CC(=C1)C=O)OC(=O)C1=C(C=CC=C1)C(OC1CCCCC1)=O