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Isophthalic acid, 2-methylcyclohexyl nonyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2-methylcyclohexyl nonyl ester
SpectraBase Compound ID GLAPg41a3Vb
InChI InChI=1S/C24H36O4/c1-3-4-5-6-7-8-11-17-27-23(25)20-14-12-15-21(18-20)24(26)28-22-16-10-9-13-19(22)2/h12,14-15,18-19,22H,3-11,13,16-17H2,1-2H3
InChIKey JBQVCXFMPBWSRL-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 96AHPiwEnGJ
Name Isophthalic acid, 2-methylcyclohexyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 388.261359635 u
Formula C24H36O4
InChI InChI=1S/C24H36O4/c1-3-4-5-6-7-8-11-17-27-23(25)20-14-12-15-21(18-20)24(26)28-22-16-10-9-13-19(22)2/h12,14-15,18-19,22H,3-11,13,16-17H2,1-2H3
InChIKey JBQVCXFMPBWSRL-UHFFFAOYSA-N
Molecular Weight 388.548 g/mol
SMILES CCCCCCCCCOC(C=1C=C(C(OC2CCCCC2C)=O)C=CC1)=O