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

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Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 4-chloro-2-methylphenyl ester
SpectraBase Compound ID BG48KQkP1pp
InChI InChI=1S/C18H15Cl2NO4/c1-11-9-12(19)3-5-15(11)25-18(23)8-7-17(22)21-14-10-13(20)4-6-16(14)24-2/h3-10H,1-2H3,(H,21,22)/b8-7+
InChIKey BKSXDXPWGLCLAS-BQYQJAHWSA-N
Mol Weight 380.23 g/mol
Molecular Formula C18H15Cl2NO4
Exact Mass 379.037813 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7d98vtU4JJe
Name Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 4-chloro-2-methylphenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 379.037813363 u
Formula C18H15Cl2NO4
InChI InChI=1S/C18H15Cl2NO4/c1-11-9-12(19)3-5-15(11)25-18(23)8-7-17(22)21-14-10-13(20)4-6-16(14)24-2/h3-10H,1-2H3,(H,21,22)/b8-7+
InChIKey BKSXDXPWGLCLAS-BQYQJAHWSA-N
Molecular Weight 380.227 g/mol
SMILES CC1=C(C=CC(=C1)Cl)OC(=O)\C=C\C(=O)NC=1C(OC)=CC=C(C1)Cl