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Fumaric acid, monoamide, N-(4-chlorophenyl)-, 3,5-difluorophenyl ester
SpectraBase Compound ID 5c2Eu7YC8Gi
InChI InChI=1S/C16H10ClF2NO3/c17-10-1-3-13(4-2-10)20-15(21)5-6-16(22)23-14-8-11(18)7-12(19)9-14/h1-9H,(H,20,21)/b6-5+
InChIKey HFAUZDHXXZHRQK-AATRIKPKSA-N
Mol Weight 337.71 g/mol
Molecular Formula C16H10ClF2NO3
Exact Mass 337.031727 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H8j0W8FJtdE
Name Fumaric acid, monoamide, N-(4-chlorophenyl)-, 3,5-difluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 337.031727209 u
Formula C16H10ClF2NO3
InChI InChI=1S/C16H10ClF2NO3/c17-10-1-3-13(4-2-10)20-15(21)5-6-16(22)23-14-8-11(18)7-12(19)9-14/h1-9H,(H,20,21)/b6-5+
InChIKey HFAUZDHXXZHRQK-AATRIKPKSA-N
Molecular Weight 337.710 g/mol
SMILES C(\C=C\C(=O)NC1=CC=C(C=C1)Cl)(=O)OC1=CC(=CC(=C1)F)F