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Fumaric acid, monoamide, N-(2-fluorophenyl)-, 2-ethylhexyl ester

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Fumaric acid, monoamide, N-(2-fluorophenyl)-, 2-ethylhexyl ester
SpectraBase Compound ID BT25tw08UfT
InChI InChI=1S/C18H24FNO3/c1-3-5-8-14(4-2)13-23-18(22)12-11-17(21)20-16-10-7-6-9-15(16)19/h6-7,9-12,14H,3-5,8,13H2,1-2H3,(H,20,21)/b12-11+
InChIKey ZIEAWDRMBBMLPE-VAWYXSNFSA-N
Mol Weight 321.39 g/mol
Molecular Formula C18H24FNO3
Exact Mass 321.174022 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9jqVio5HsxF
Name Fumaric acid, monoamide, N-(2-fluorophenyl)-, 2-ethylhexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 321.174021797 u
Formula C18H24FNO3
InChI InChI=1S/C18H24FNO3/c1-3-5-8-14(4-2)13-23-18(22)12-11-17(21)20-16-10-7-6-9-15(16)19/h6-7,9-12,14H,3-5,8,13H2,1-2H3,(H,20,21)/b12-11+
InChIKey ZIEAWDRMBBMLPE-VAWYXSNFSA-N
Molecular Weight 321.392 g/mol
SMILES C(COC(=O)\C=C\C(=O)NC1=CC=CC=C1F)(CCCC)CC