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Phthalic acid, 4-cyanophenyl cyclohexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-cyanophenyl cyclohexyl ester
SpectraBase Compound ID 8L9hLYqQjfX
InChI InChI=1S/C21H19NO4/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/h4-5,8-13,16H,1-3,6-7H2
InChIKey JLUXLMCOWUUPEN-UHFFFAOYSA-N
Mol Weight 349.39 g/mol
Molecular Formula C21H19NO4
Exact Mass 349.131408 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9GtwGgVDL8c
Name Phthalic acid, 4-cyanophenyl cyclohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 349.131408092 u
Formula C21H19NO4
InChI InChI=1S/C21H19NO4/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/h4-5,8-13,16H,1-3,6-7H2
InChIKey JLUXLMCOWUUPEN-UHFFFAOYSA-N
Molecular Weight 349.386 g/mol
SMILES C1=C(C(=CC=C1)C(OC1CCCCC1)=O)C(OC1=CC=C(C=C1)C#N)=O