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Terephthalic acid, 2-cyclohexylethyl nonyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 2-cyclohexylethyl nonyl ester
SpectraBase Compound ID LxHxRHgAaLa
InChI InChI=1S/C25H38O4/c1-2-3-4-5-6-7-11-19-28-24(26)22-14-16-23(17-15-22)25(27)29-20-18-21-12-9-8-10-13-21/h14-17,21H,2-13,18-20H2,1H3
InChIKey KSZYUBDYGZMPMJ-UHFFFAOYSA-N
Mol Weight 402.6 g/mol
Molecular Formula C25H38O4
Exact Mass 402.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID y3GdeGEkG1
Name Terephthalic acid, 2-cyclohexylethyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 402.277009700 u
Formula C25H38O4
InChI InChI=1S/C25H38O4/c1-2-3-4-5-6-7-11-19-28-24(26)22-14-16-23(17-15-22)25(27)29-20-18-21-12-9-8-10-13-21/h14-17,21H,2-13,18-20H2,1H3
InChIKey KSZYUBDYGZMPMJ-UHFFFAOYSA-N
Molecular Weight 402.575 g/mol
SMILES C(COC(C1=CC=C(C=C1)C(OCCC1CCCCC1)=O)=O)CCCCCCC