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Isophthalic acid, cyclohexylmethyl nonyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, cyclohexylmethyl nonyl ester
SpectraBase Compound ID IYznc5ZrdPT
InChI InChI=1S/C24H36O4/c1-2-3-4-5-6-7-11-17-27-23(25)21-15-12-16-22(18-21)24(26)28-19-20-13-9-8-10-14-20/h12,15-16,18,20H,2-11,13-14,17,19H2,1H3
InChIKey FSDYGECMQKESJK-UHFFFAOYSA-N
Mol Weight 388.5 g/mol
Molecular Formula C24H36O4
Exact Mass 388.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID zGDgxuoMmp
Name Isophthalic acid, cyclohexylmethyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 388.261359635 u
Formula C24H36O4
InChI InChI=1S/C24H36O4/c1-2-3-4-5-6-7-11-17-27-23(25)21-15-12-16-22(18-21)24(26)28-19-20-13-9-8-10-14-20/h12,15-16,18,20H,2-11,13-14,17,19H2,1H3
InChIKey FSDYGECMQKESJK-UHFFFAOYSA-N
Molecular Weight 388.548 g/mol
SMILES C1(CCCCC1)COC(C1=CC(C(OCCCCCCCCC)=O)=CC=C1)=O