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4-NITROPHTHALIDE
SpectraBase Compound ID AiM3UWWV8nX
InChI InChI=1S/C8H5NO4/c10-8-5-2-1-3-7(9(11)12)6(5)4-13-8/h1-3H,4H2
InChIKey NTPUVQUUAYGRHK-UHFFFAOYSA-N
Mol Weight 179.13 g/mol
Molecular Formula C8H5NO4
Exact Mass 179.021858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E9Kjd3Huu53
Name 4-Nitroisobenzofuran-1(3H)-one
Alternate Name(s) 4-Nitro-3H-isobenzofuran-1-one 4-Nitro-3H-2-benzofuran-1-one
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Formula C8H5NO4
InChI InChI=1S/C8H5NO4/c10-8-5-2-1-3-7(9(11)12)6(5)4-13-8/h1-3H,4H2
InChIKey NTPUVQUUAYGRHK-UHFFFAOYSA-N
Molecular Weight 179.131 g/mol
SMILES C1(=O)OCc2c1cccc2N(=O)=O
SPLASH splash10-0fc0-3900000000-2ada62c5a3c919481de8
Source of Spectrum JX-2012-774
Wiley ID 1661220