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Fumaric acid, monoamide, N-(2-fluorophenyl)-, 2-bromo-4-fluorophenyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, monoamide, N-(2-fluorophenyl)-, 2-bromo-4-fluorophenyl ester
SpectraBase Compound ID 1BtHK6ldRfq
InChI InChI=1S/C16H10BrF2NO3/c17-11-9-10(18)5-6-14(11)23-16(22)8-7-15(21)20-13-4-2-1-3-12(13)19/h1-9H,(H,20,21)/b8-7+
InChIKey XBLZGACIFQKESW-BQYQJAHWSA-N
Mol Weight 382.16 g/mol
Molecular Formula C16H10BrF2NO3
Exact Mass 380.981213 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8jLNNaycgrS
Name Fumaric acid, monoamide, N-(2-fluorophenyl)-, 2-bromo-4-fluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 380.981212509 u
Formula C16H10BrF2NO3
InChI InChI=1S/C16H10BrF2NO3/c17-11-9-10(18)5-6-14(11)23-16(22)8-7-15(21)20-13-4-2-1-3-12(13)19/h1-9H,(H,20,21)/b8-7+
InChIKey XBLZGACIFQKESW-BQYQJAHWSA-N
Molecular Weight 382.161 g/mol
SMILES C(\C=C\C(=O)NC1=CC=CC=C1F)(=O)OC1=CC=C(C=C1Br)F