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Phthalic acid, 4-chloro-2-methylphenyl nonyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-chloro-2-methylphenyl nonyl ester
SpectraBase Compound ID A6ulF5NVDZ9
InChI InChI=1S/C24H29ClO4/c1-3-4-5-6-7-8-11-16-28-23(26)20-12-9-10-13-21(20)24(27)29-22-15-14-19(25)17-18(22)2/h9-10,12-15,17H,3-8,11,16H2,1-2H3
InChIKey PZHIWYZWRBDIGV-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 9BGvrnmLR89
Name Phthalic acid, 4-chloro-2-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/c1-3-4-5-6-7-8-11-16-28-23(26)20-12-9-10-13-21(20)24(27)29-22-15-14-19(25)17-18(22)2/h9-10,12-15,17H,3-8,11,16H2,1-2H3
InChIKey PZHIWYZWRBDIGV-UHFFFAOYSA-N
Molecular Weight 416.945 g/mol
SMILES C1(=CC=CC=C1C(OC=1C(C)=CC(=CC1)Cl)=O)C(OCCCCCCCCC)=O