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Phthalic acid, 2,5-dichlorobenzyl propyl ester
SpectraBase Compound ID 8e2CYmYv9GH
InChI InChI=1S/C18H16Cl2O4/c1-2-9-23-17(21)14-5-3-4-6-15(14)18(22)24-11-12-10-13(19)7-8-16(12)20/h3-8,10H,2,9,11H2,1H3
InChIKey YMYJWOXZJDRBSX-UHFFFAOYSA-N
Mol Weight 367.23 g/mol
Molecular Formula C18H16Cl2O4
Exact Mass 366.042564 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fqa0cALby9d
Name Phthalic acid, 2,5-dichlorobenzyl propyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.042564391 u
Formula C18H16Cl2O4
InChI InChI=1S/C18H16Cl2O4/c1-2-9-23-17(21)14-5-3-4-6-15(14)18(22)24-11-12-10-13(19)7-8-16(12)20/h3-8,10H,2,9,11H2,1H3
InChIKey YMYJWOXZJDRBSX-UHFFFAOYSA-N
Molecular Weight 367.228 g/mol
SMILES C1=CC(=C(C=C1)C(=O)OCC1=C(C=CC(=C1)Cl)Cl)C(=O)OCCC