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Fumaric monoamide, N-(2-bromophenyl)-, heptyl ester

View entire compound with spectra: 1 NMR

Fumaric monoamide, N-(2-bromophenyl)-, heptyl ester
SpectraBase Compound ID HXkptkafFRY
InChI InChI=1S/C17H22BrNO3/c1-2-3-4-5-8-13-22-17(21)12-11-16(20)19-15-10-7-6-9-14(15)18/h6-7,9-12H,2-5,8,13H2,1H3,(H,19,20)/b12-11+
InChIKey ZTUVAFRCNGTWFB-VAWYXSNFSA-N
Mol Weight 368.27 g/mol
Molecular Formula C17H22BrNO3
Exact Mass 367.078307 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A8oDZQCTtjg
Name Fumaric monoamide, N-(2-bromophenyl)-, heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 367.078306569 u
Formula C17H22BrNO3
InChI InChI=1S/C17H22BrNO3/c1-2-3-4-5-8-13-22-17(21)12-11-16(20)19-15-10-7-6-9-14(15)18/h6-7,9-12H,2-5,8,13H2,1H3,(H,19,20)/b12-11+
InChIKey ZTUVAFRCNGTWFB-VAWYXSNFSA-N
Molecular Weight 368.271 g/mol
SMILES C1(=C(C=CC=C1)Br)NC(\C=C\C(OCCCCCCC)=O)=O