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

View entire compound with spectra: 1 NMR

Fumaric acid, monoamide, N-(2-bromophenyl)-, 2-ethylhexyl ester
SpectraBase Compound ID CWdWiLyEEN
InChI InChI=1S/C18H24BrNO3/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 SEWPTVMMOJRPFC-VAWYXSNFSA-N
Mol Weight 382.3 g/mol
Molecular Formula C18H24BrNO3
Exact Mass 381.093957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3s4s4SWVaWG
Name Fumaric acid, monoamide, N-(2-bromophenyl)-, 2-ethylhexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 381.093956634 u
Formula C18H24BrNO3
InChI InChI=1S/C18H24BrNO3/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 SEWPTVMMOJRPFC-VAWYXSNFSA-N
Molecular Weight 382.298 g/mol
SMILES C(OC(=O)\C=C\C(=O)NC1=CC=CC=C1Br)C(CCCC)CC