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Terephthalic acid, 3-chlorobenzyl nonyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 3-chlorobenzyl nonyl ester
SpectraBase Compound ID 5QZzUMF2Gi4
InChI InChI=1S/C24H29ClO4/c1-2-3-4-5-6-7-8-16-28-23(26)20-12-14-21(15-13-20)24(27)29-18-19-10-9-11-22(25)17-19/h9-15,17H,2-8,16,18H2,1H3
InChIKey CJKAWMYEPQKDLC-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 6RUnqwdp4E7
Name Terephthalic acid, 3-chlorobenzyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 416.175437110 u
Formula C24H29ClO4
InChI InChI=1S/C24H29ClO4/c1-2-3-4-5-6-7-8-16-28-23(26)20-12-14-21(15-13-20)24(27)29-18-19-10-9-11-22(25)17-19/h9-15,17H,2-8,16,18H2,1H3
InChIKey CJKAWMYEPQKDLC-UHFFFAOYSA-N
Molecular Weight 416.945 g/mol
SMILES C1=CC(=CC=C1C(OCCCCCCCCC)=O)C(OCC1=CC(=CC=C1)Cl)=O