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

View entire compound with spectra: 1 NMR

Fumaric monoamide, N-(2-bromophenyl)-, dodecyl ester
SpectraBase Compound ID BNNj5X8r7eN
InChI InChI=1S/C22H32BrNO3/c1-2-3-4-5-6-7-8-9-10-13-18-27-22(26)17-16-21(25)24-20-15-12-11-14-19(20)23/h11-12,14-17H,2-10,13,18H2,1H3,(H,24,25)/b17-16+
InChIKey QZVFPGQAHVKWSU-WUKNDPDISA-N
Mol Weight 438.4 g/mol
Molecular Formula C22H32BrNO3
Exact Mass 437.156557 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1qXT7egCQGJ
Name Fumaric monoamide, N-(2-bromophenyl)-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 437.156556891 u
Formula C22H32BrNO3
InChI InChI=1S/C22H32BrNO3/c1-2-3-4-5-6-7-8-9-10-13-18-27-22(26)17-16-21(25)24-20-15-12-11-14-19(20)23/h11-12,14-17H,2-10,13,18H2,1H3,(H,24,25)/b17-16+
InChIKey QZVFPGQAHVKWSU-WUKNDPDISA-N
Molecular Weight 438.406 g/mol
SMILES C1=C(C(=CC=C1)Br)NC(\C=C\C(OCCCCCCCCCCCC)=O)=O