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Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 2,4,6-trichlorophenyl ester

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Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 2,4,6-trichlorophenyl ester
SpectraBase Compound ID 5fVaw4AkCwk
InChI InChI=1S/C17H11Cl4NO4/c1-25-14-3-2-9(18)8-13(14)22-15(23)4-5-16(24)26-17-11(20)6-10(19)7-12(17)21/h2-8H,1H3,(H,22,23)/b5-4+
InChIKey BWKGQZJRDYDHNL-SNAWJCMRSA-N
Mol Weight 435.1 g/mol
Molecular Formula C17H11Cl4NO4
Exact Mass 432.944219 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K7xOwfcYe9C
Name Fumaric acid, monoamide, N-(5-chloro-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 432.944218634 u
Formula C17H11Cl4NO4
InChI InChI=1S/C17H11Cl4NO4/c1-25-14-3-2-9(18)8-13(14)22-15(23)4-5-16(24)26-17-11(20)6-10(19)7-12(17)21/h2-8H,1H3,(H,22,23)/b5-4+
InChIKey BWKGQZJRDYDHNL-SNAWJCMRSA-N
Molecular Weight 435.090 g/mol
SMILES COC1=CC=C(C=C1NC(\C=C\C(OC1=C(C=C(Cl)C=C1Cl)Cl)=O)=O)Cl