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Isophthalic acid, 2,6-dichlorophenyl hexyl ester

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Isophthalic acid, 2,6-dichlorophenyl hexyl ester
SpectraBase Compound ID 43DK3wCyONd
InChI InChI=1S/C20H20Cl2O4/c1-2-3-4-5-12-25-19(23)14-8-6-9-15(13-14)20(24)26-18-16(21)10-7-11-17(18)22/h6-11,13H,2-5,12H2,1H3
InChIKey QENVYIGPEXGPOK-UHFFFAOYSA-N
Mol Weight 395.28 g/mol
Molecular Formula C20H20Cl2O4
Exact Mass 394.073865 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bl3jsCXvnlr
Name Isophthalic acid, 2,6-dichlorophenyl hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.073864520 u
Formula C20H20Cl2O4
InChI InChI=1S/C20H20Cl2O4/c1-2-3-4-5-12-25-19(23)14-8-6-9-15(13-14)20(24)26-18-16(21)10-7-11-17(18)22/h6-11,13H,2-5,12H2,1H3
InChIKey QENVYIGPEXGPOK-UHFFFAOYSA-N
Molecular Weight 395.282 g/mol
SMILES CCCCCCOC(C=1C=C(C(OC2=C(C=CC=C2Cl)Cl)=O)C=CC1)=O