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4-(1,3-benzodioxol-5-yl)-6-[(Z)-[chloro(dimethylamino)methylene]amino]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester
SpectraBase Compound ID Er4hKzLWxw2
InChI InChI=1S/C20H20ClN3O5/c1-5-26-19(25)16-11(2)29-18(23-20(21)24(3)4)13(9-22)17(16)12-6-7-14-15(8-12)28-10-27-14/h6-8,17H,5,10H2,1-4H3/b23-20+
InChIKey NROVOECWXXSJPF-BSYVCWPDSA-N
Mol Weight 417.85 g/mol
Molecular Formula C20H20ClN3O5
Exact Mass 417.109148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 81U8N4eYbFc
Name 4-(1,3-benzodioxol-5-yl)-6-[(Z)-[chloro(dimethylamino)methylene]amino]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester
Alternate Name(s) 4-(1,3-benzodioxol-5-yl)-6-[(Z)-[chloro(dimethylamino)methylidene]amino]-5-cyano-2-methyl-4H-pyran-3-carboxylic acid ethyl ester Ethyl 4-(1,3-benzodioxol-5-yl)-6-[(Z)-[chloranyl(dimethylamino)methylidene]amino]-5-cyano-2-methyl-4H-pyran-3-carboxylate Ethyl 4-(1,3-benzodioxol-5-yl)-6-[(Z)-[chloro(dimethylamino)methylene]amino]-5-cyano-2-methyl-4H-pyran-3-carboxylate
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Formula C20H20ClN3O5
InChI InChI=1S/C20H20ClN3O5/c1-5-26-19(25)16-11(2)29-18(23-20(21)24(3)4)13(9-22)17(16)12-6-7-14-15(8-12)28-10-27-14/h6-8,17H,5,10H2,1-4H3/b23-20+
InChIKey NROVOECWXXSJPF-BSYVCWPDSA-N
Molecular Weight 417.849 g/mol
SMILES C1(=C(C(c2cc3OCOc3cc2)C(=C(O1)C)C(=O)OCC)C#N)\N=C\(N(C)C)Cl
SPLASH splash10-00kb-0095700000-66ea8c1bd81e4d7133df
Source of Spectrum F-51-5905-3
Wiley ID 792068