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Teredphthalic acid, 2-nitro-5-sulfanyl
SpectraBase Compound ID 9ZJb87XXuAc
InChI InChI=1S/C8H5NO6S/c10-7(11)3-2-6(16)4(8(12)13)1-5(3)9(14)15/h1-2,16H,(H,10,11)(H,12,13)
InChIKey WTGOGMIMKRBMLM-UHFFFAOYSA-N
Mol Weight 243.19 g/mol
Molecular Formula C8H5NO6S
Exact Mass 242.983758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID COqF9GQ5LZO
Name Teredphthalic acid, 2-nitro-5-sulfanyl
Alternate Name(s) 2-Mercapto-5-nitro-terephthalic acid 2-Nitro-5-sulfanyl-terephthalic acid 2-Mercapto-5-nitroterephthalic acid
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Formula C8H5NO6S
InChI InChI=1S/C8H5NO6S/c10-7(11)3-2-6(16)4(8(12)13)1-5(3)9(14)15/h1-2,16H,(H,10,11)(H,12,13)
InChIKey WTGOGMIMKRBMLM-UHFFFAOYSA-N
Molecular Weight 243.189 g/mol
SMILES OC(c1cc(c(cc1S)C(=O)O)N(=O)=O)=O
SPLASH splash10-004i-9550000000-86b7c132c51ea54e1e9b
Wiley ID 1477810