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

View entire compound with spectra: 1 NMR

Fumaric acid, monoamide, N-(2-fluorophenyl)-, pentafluorobenzyl ester
SpectraBase Compound ID 5TkQFScpdk9
InChI InChI=1S/C17H9F6NO3/c18-9-3-1-2-4-10(9)24-11(25)5-6-12(26)27-7-8-13(19)15(21)17(23)16(22)14(8)20/h1-6H,7H2,(H,24,25)/b6-5+
InChIKey TWIQGJNZRLXITI-AATRIKPKSA-N
Mol Weight 389.25 g/mol
Molecular Formula C17H9F6NO3
Exact Mass 389.048662 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KNGGwTUBmSL
Name Fumaric acid, monoamide, N-(2-fluorophenyl)-, pentafluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 389.048662129 u
Formula C17H9F6NO3
InChI InChI=1S/C17H9F6NO3/c18-9-3-1-2-4-10(9)24-11(25)5-6-12(26)27-7-8-13(19)15(21)17(23)16(22)14(8)20/h1-6H,7H2,(H,24,25)/b6-5+
InChIKey TWIQGJNZRLXITI-AATRIKPKSA-N
Molecular Weight 389.253 g/mol
SMILES C1=CC=C(C(=C1)F)NC(=O)\C=C\C(OCC1=C(C(=C(F)C(=C1F)F)F)F)=O