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(3Z,5Z)-1-Acryloyl-3,5-bis(4-fluorobenzylidene)piperidin-4-one
SpectraBase Compound ID LK29kwX2gUO
InChI InChI=1S/C22H17F2NO2/c1-2-21(26)25-13-17(11-15-3-7-19(23)8-4-15)22(27)18(14-25)12-16-5-9-20(24)10-6-16/h2-12H,1,13-14H2/b17-11-,18-12-
InChIKey JTMAQMMHQYJZRV-WHYMJUELSA-N
Mol Weight 365.38 g/mol
Molecular Formula C22H17F2NO2
Exact Mass 365.122735 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FvOx7twrxaV
Name (3Z,5Z)-1-Acryloyl-3,5-bis(4-fluorobenzylidene)piperidin-4-one
Comments Computed using HOSE algorithm
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Exact Mass 365.122735115 u
Formula C22H17F2NO2
InChI InChI=1S/C22H17F2NO2/c1-2-21(26)25-13-17(11-15-3-7-19(23)8-4-15)22(27)18(14-25)12-16-5-9-20(24)10-6-16/h2-12H,1,13-14H2/b17-11-,18-12-
InChIKey JTMAQMMHQYJZRV-WHYMJUELSA-N
Molecular Weight 365.380 g/mol
SMILES C1N(C\C(C(\C1=C\C1=CC=C(C=C1)F)=O)=C/C1=CC=C(C=C1)F)C(C=C)=O