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Phthalic acid, 4-cyanophenyl octyl ester

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Phthalic acid, 4-cyanophenyl octyl ester
SpectraBase Compound ID KZVmwZgozbn
InChI InChI=1S/C23H25NO4/c1-2-3-4-5-6-9-16-27-22(25)20-10-7-8-11-21(20)23(26)28-19-14-12-18(17-24)13-15-19/h7-8,10-15H,2-6,9,16H2,1H3
InChIKey YIBIVJBQRNJCMF-UHFFFAOYSA-N
Mol Weight 379.46 g/mol
Molecular Formula C23H25NO4
Exact Mass 379.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 86kTQWTv2u5
Name Phthalic acid, 4-cyanophenyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 379.178358285 u
Formula C23H25NO4
InChI InChI=1S/C23H25NO4/c1-2-3-4-5-6-9-16-27-22(25)20-10-7-8-11-21(20)23(26)28-19-14-12-18(17-24)13-15-19/h7-8,10-15H,2-6,9,16H2,1H3
InChIKey YIBIVJBQRNJCMF-UHFFFAOYSA-N
Molecular Weight 379.456 g/mol
SMILES C(OC(C1=C(C=CC=C1)C(OC1=CC=C(C=C1)C#N)=O)=O)CCCCCCC