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

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Fumaric acid, monoamide, N-(2-fluorophenyl)-, dodecyl ester
SpectraBase Compound ID KoMiOUilyVS
InChI InChI=1S/C22H32FNO3/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 JFPGJDGQKCDGBG-WUKNDPDISA-N
Mol Weight 377.5 g/mol
Molecular Formula C22H32FNO3
Exact Mass 377.236622 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7F0vSh2UQ1K
Name Fumaric acid, monoamide, N-(2-fluorophenyl)-, dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 377.236622054 u
Formula C22H32FNO3
InChI InChI=1S/C22H32FNO3/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 JFPGJDGQKCDGBG-WUKNDPDISA-N
Molecular Weight 377.500 g/mol
SMILES CCCCCCCCCCCCOC(\C=C\C(NC1=C(C=CC=C1)F)=O)=O