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Isophthalic acid, 2-chloro-5-methylphenyl nonyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, 2-chloro-5-methylphenyl nonyl ester
SpectraBase Compound ID Duvk56u3cfX
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)29-22-16-18(2)13-14-21(22)25/h10-14,16-17H,3-9,15H2,1-2H3
InChIKey NROOPQQYCXXBEJ-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 Ikw0Wszekfy
Name Isophthalic acid, 2-chloro-5-methylphenyl nonyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
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)29-22-16-18(2)13-14-21(22)25/h10-14,16-17H,3-9,15H2,1-2H3
InChIKey NROOPQQYCXXBEJ-UHFFFAOYSA-N
Molecular Weight 416.945 g/mol
SMILES C1=C(C=CC=C1C(OC1=CC(C)=CC=C1Cl)=O)C(=O)OCCCCCCCCC