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Fumaric acid, 2-methoxyphenyl 2,4,6-trichlorophenyl ester

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Fumaric acid, 2-methoxyphenyl 2,4,6-trichlorophenyl ester
SpectraBase Compound ID 22iadmUfLi8
InChI InChI=1S/C17H11Cl3O5/c1-23-13-4-2-3-5-14(13)24-15(21)6-7-16(22)25-17-11(19)8-10(18)9-12(17)20/h2-9H,1H3/b7-6+
InChIKey ROICHDDDCPNCMP-VOTSOKGWSA-N
Mol Weight 401.63 g/mol
Molecular Formula C17H11Cl3O5
Exact Mass 399.967207 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7wqYIgiW6eD
Name Fumaric acid, 2-methoxyphenyl 2,4,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.967206549 u
Formula C17H11Cl3O5
InChI InChI=1S/C17H11Cl3O5/c1-23-13-4-2-3-5-14(13)24-15(21)6-7-16(22)25-17-11(19)8-10(18)9-12(17)20/h2-9H,1H3/b7-6+
InChIKey ROICHDDDCPNCMP-VOTSOKGWSA-N
Molecular Weight 401.629 g/mol
SMILES C(\C=C\C(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)(OC1=C(OC)C=CC=C1)=O