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Isophthalic acid, 4-chloro-3-methylphenyl nonyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 4-chloro-3-methylphenyl nonyl ester
SpectraBase Compound ID 7DZ2F0te3lp
InChI InChI=1S/C24H29ClO4/c1-3-4-5-6-7-8-9-15-28-23(26)19-11-10-12-20(17-19)24(27)29-21-13-14-22(25)18(2)16-21/h10-14,16-17H,3-9,15H2,1-2H3
InChIKey UJNUHLUCULRGGG-UHFFFAOYSA-N
Mol Weight 416.95 g/mol
Molecular Formula C24H29ClO4
Exact Mass 416.175437 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J0kJhhy0XdR
Name Isophthalic acid, 4-chloro-3-methylphenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 416.175437110 u
Formula C24H29ClO4
InChI InChI=1S/C24H29ClO4/c1-3-4-5-6-7-8-9-15-28-23(26)19-11-10-12-20(17-19)24(27)29-21-13-14-22(25)18(2)16-21/h10-14,16-17H,3-9,15H2,1-2H3
InChIKey UJNUHLUCULRGGG-UHFFFAOYSA-N
Molecular Weight 416.945 g/mol
SMILES C1=C(C=C(C(=C1)Cl)C)OC(C1=CC(=CC=C1)C(OCCCCCCCCC)=O)=O