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3-(4-Diethylamino-benzylidene)-6-nitro-3H-isobenzofuran-1-one
SpectraBase Compound ID DOCdsE5entk
InChI InChI=1S/C19H18N2O4/c1-3-20(4-2)14-7-5-13(6-8-14)11-18-16-10-9-15(21(23)24)12-17(16)19(22)25-18/h5-12H,3-4H2,1-2H3/b18-11-
InChIKey JTZFHPWUFGPJOX-WQRHYEAKSA-N
Mol Weight 338.36 g/mol
Molecular Formula C19H18N2O4
Exact Mass 338.126657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CrbI174Hq1G
Name 3-(4-Diethylamino-benzylidene)-6-nitro-3H-isobenzofuran-1-one
Alternate Name(s) (3Z)-3-[4-(Diethylamino)benzylidene]-6-nitro-2-benzofuran-1(3H)-one (3Z)-3-[4-(diethylamino)benzylidene]-6-nitro-phthalide (3Z)-3-[[4-(diethylamino)phenyl]methylene]-6-nitro-isobenzofuran-1-one (3Z)-3-[[4-(diethylamino)phenyl]methylidene]-6-nitro-1-isobenzofuranone (3Z)-3-[[4-(diethylamino)phenyl]methylidene]-6-nitro-2-benzofuran-1-one 3-[4-(diethylamino)benzylidene]-6-nitro-2-benzofuran-1(3H)-one
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Formula C19H18N2O4
InChI InChI=1S/C19H18N2O4/c1-3-20(4-2)14-7-5-13(6-8-14)11-18-16-10-9-15(21(23)24)12-17(16)19(22)25-18/h5-12H,3-4H2,1-2H3/b18-11-
InChIKey JTZFHPWUFGPJOX-WQRHYEAKSA-N
Molecular Weight 338.363 g/mol
SMILES C1(O\C(c2c1cc(cc2)N(=O)=O)=C\c1ccc(cc1)N(CC)CC)=O
SPLASH splash10-00di-4957000000-85234bee9c72f1570d37
Wiley ID 1437833