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Phthalic acid, nonyl 2,4,5-trichlorophenyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, nonyl 2,4,5-trichlorophenyl ester
SpectraBase Compound ID HnPjrmz3iI4
InChI InChI=1S/C23H25Cl3O4/c1-2-3-4-5-6-7-10-13-29-22(27)16-11-8-9-12-17(16)23(28)30-21-15-19(25)18(24)14-20(21)26/h8-9,11-12,14-15H,2-7,10,13H2,1H3
InChIKey NJWFKVZRZWZOAO-UHFFFAOYSA-N
Mol Weight 471.81 g/mol
Molecular Formula C23H25Cl3O4
Exact Mass 470.081842 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4rsua6fl6IP
Name Phthalic acid, nonyl 2,4,5-trichlorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 470.081842381 u
Formula C23H25Cl3O4
InChI InChI=1S/C23H25Cl3O4/c1-2-3-4-5-6-7-10-13-29-22(27)16-11-8-9-12-17(16)23(28)30-21-15-19(25)18(24)14-20(21)26/h8-9,11-12,14-15H,2-7,10,13H2,1H3
InChIKey NJWFKVZRZWZOAO-UHFFFAOYSA-N
Molecular Weight 471.808 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCC)=O)C(OC1=C(C=C(C(=C1)Cl)Cl)Cl)=O