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Phthalic acid, 2,5-dichlorophenyl dodecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,5-dichlorophenyl dodecyl ester
SpectraBase Compound ID GGXT2eODrqg
InChI InChI=1S/C26H32Cl2O4/c1-2-3-4-5-6-7-8-9-10-13-18-31-25(29)21-14-11-12-15-22(21)26(30)32-24-19-20(27)16-17-23(24)28/h11-12,14-17,19H,2-10,13,18H2,1H3
InChIKey YQIDEUASBZFYHO-UHFFFAOYSA-N
Mol Weight 479.4 g/mol
Molecular Formula C26H32Cl2O4
Exact Mass 478.167765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JZeQmkqU0Sd
Name Phthalic acid, 2,5-dichlorophenyl dodecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 478.167764906 u
Formula C26H32Cl2O4
InChI InChI=1S/C26H32Cl2O4/c1-2-3-4-5-6-7-8-9-10-13-18-31-25(29)21-14-11-12-15-22(21)26(30)32-24-19-20(27)16-17-23(24)28/h11-12,14-17,19H,2-10,13,18H2,1H3
InChIKey YQIDEUASBZFYHO-UHFFFAOYSA-N
Molecular Weight 479.444 g/mol
SMILES C1(=CC=CC=C1C(OC1=C(C=CC(=C1)Cl)Cl)=O)C(OCCCCCCCCCCCC)=O