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(5-nitroquinolin-8-yl) 4-methylbenzenesulfonate
SpectraBase Compound ID 3D2iZvbm78i
InChI InChI=1S/C16H12N2O5S/c1-11-4-6-12(7-5-11)24(21,22)23-15-9-8-14(18(19)20)13-3-2-10-17-16(13)15/h2-10H,1H3
InChIKey IQMILMPHXPAQFX-UHFFFAOYSA-N
Mol Weight 344.34 g/mol
Molecular Formula C16H12N2O5S
Exact Mass 344.046693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A7OGiMWpf3P
Name 5-Nitro-8-tosylquinoline
Alternate Name(s) 4-Methylbenzenesulfonic acid (5-nitro-8-quinolinyl) ester (5-nitro-8-quinolyl) 4-methylbenzenesulfonate (5-nitroquinolin-8-yl) 4-methylbenzenesulfonate
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Formula C16H12N2O5S
InChI InChI=1S/C16H12N2O5S/c1-11-4-6-12(7-5-11)24(21,22)23-15-9-8-14(18(19)20)13-3-2-10-17-16(13)15/h2-10H,1H3
InChIKey IQMILMPHXPAQFX-UHFFFAOYSA-N
Molecular Weight 344.341 g/mol
SMILES c1(OS(c2ccc(cc2)C)(=O)=O)c2c(cccn2)c(N(=O)=O)cc1
SPLASH splash10-0006-9310000000-24cfce0cf1a7d825044d
Source of Spectrum Y-28-659-4
Wiley ID 1337648