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Phthalic acid, 4-cyanophenyl nonyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-cyanophenyl nonyl ester
SpectraBase Compound ID 4DoLn8wotov
InChI InChI=1S/C24H27NO4/c1-2-3-4-5-6-7-10-17-28-23(26)21-11-8-9-12-22(21)24(27)29-20-15-13-19(18-25)14-16-20/h8-9,11-16H,2-7,10,17H2,1H3
InChIKey FLIGQTLACKSQDG-UHFFFAOYSA-N
Mol Weight 393.48 g/mol
Molecular Formula C24H27NO4
Exact Mass 393.194008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4QrdcozXS1n
Name Phthalic acid, 4-cyanophenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 393.194008349 u
Formula C24H27NO4
InChI InChI=1S/C24H27NO4/c1-2-3-4-5-6-7-10-17-28-23(26)21-11-8-9-12-22(21)24(27)29-20-15-13-19(18-25)14-16-20/h8-9,11-16H,2-7,10,17H2,1H3
InChIKey FLIGQTLACKSQDG-UHFFFAOYSA-N
Molecular Weight 393.483 g/mol
SMILES C(OC(C1=C(C=CC=C1)C(OC1=CC=C(C=C1)C#N)=O)=O)CCCCCCCC