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(3E)-3-benzal-N-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-2-morpholino-cyclohexene-1-carboxamide
SpectraBase Compound ID 8FlcBNYK6e8
InChI InChI=1S/C26H24ClF3N2O4/c27-19-9-10-21-22(16-19)36-26(35-21,25(28,29)30)31-24(33)20-8-4-7-18(15-17-5-2-1-3-6-17)23(20)32-11-13-34-14-12-32/h1-3,5-6,9-10,15-16H,4,7-8,11-14H2,(H,31,33)/b18-15+
InChIKey XBSHWULIMHYDME-OBGWFSINSA-N
Mol Weight 520.94 g/mol
Molecular Formula C26H24ClF3N2O4
Exact Mass 520.137669 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jIT2mlpZ3d
Name (3E)-3-benzal-N-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-2-morpholino-cyclohexene-1-carboxamide
Alternate Name(s) (3E)-3-benzylidene-N-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-2-morpholin-4-ylcyclohexene-1-carboxamide (3E)-3-benzylidene-N-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-2-morpholino-cyclohexene-1-carboxamide (3E)-N-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-2-morpholin-4-yl-3-(phenylmethylidene)cyclohexene-1-carboxamide (3E)-N-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-2-(4-morpholinyl)-3-(phenylmethylene)-1-cyclohexenecarboxamide
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Formula C26H24ClF3N2O4
InChI InChI=1S/C26H24ClF3N2O4/c27-19-9-10-21-22(16-19)36-26(35-21,25(28,29)30)31-24(33)20-8-4-7-18(15-17-5-2-1-3-6-17)23(20)32-11-13-34-14-12-32/h1-3,5-6,9-10,15-16H,4,7-8,11-14H2,(H,31,33)/b18-15+
InChIKey XBSHWULIMHYDME-OBGWFSINSA-N
Molecular Weight 520.936 g/mol
SMILES N(C1(C(F)(F)F)Oc2cc(Cl)ccc2O1)C(C1=C(\C(=C\c2ccccc2)CCC1)N1CCOCC1)=O
SPLASH splash10-00ls-2950000000-14fd3723e3a8d49bbaae
Wiley ID 1463778