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Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 3-fluorophenyl ester

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Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 3-fluorophenyl ester
SpectraBase Compound ID AtzkL8Ni1lS
InChI InChI=1S/C17H13ClFNO4/c1-23-15-6-5-11(18)9-14(15)20-16(21)7-8-17(22)24-13-4-2-3-12(19)10-13/h2-10H,1H3,(H,20,21)/b8-7+
InChIKey OUPHRINUOIQUNI-BQYQJAHWSA-N
Mol Weight 349.75 g/mol
Molecular Formula C17H13ClFNO4
Exact Mass 349.051714 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4GBb4deFcMb
Name Fumaric acid, monoamide, N-(5-chloro-2-methoxyphenyl)-, 3-fluorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 349.051713762 u
Formula C17H13ClFNO4
InChI InChI=1S/C17H13ClFNO4/c1-23-15-6-5-11(18)9-14(15)20-16(21)7-8-17(22)24-13-4-2-3-12(19)10-13/h2-10H,1H3,(H,20,21)/b8-7+
InChIKey OUPHRINUOIQUNI-BQYQJAHWSA-N
Molecular Weight 349.745 g/mol
SMILES C1=C(C=CC=C1F)OC(=O)\C=C\C(=O)NC=1C(OC)=CC=C(C1)Cl