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Pentanesulfonic acid, 5,5,5-trichloro-, 4-nitrophenyl ester
SpectraBase Compound ID EEIE3yeRqTX
InChI InChI=1S/C11H12Cl3NO5S/c12-11(13,14)7-1-2-8-21(18,19)20-10-5-3-9(4-6-10)15(16)17/h3-6H,1-2,7-8H2
InChIKey GZOVVTSOTCKNEX-UHFFFAOYSA-N
Mol Weight 376.64 g/mol
Molecular Formula C11H12Cl3NO5S
Exact Mass 374.950177 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4JskZK14q0
Name Pentanesulfonic acid, 5,5,5-trichloro-, 4-nitrophenyl ester
Alternate Name(s) (4-nitrophenyl) 5,5,5-trichloropentane-1-sulfonate (4-nitrophenyl) 5,5,5-tris(chloranyl)pentane-1-sulfonate 4-Nitrophenyl 5,5,5-trichloro-1-pentanesulfonate 5,5,5-trichloro-1-pentanesulfonic acid 5,5,5-trichloropentane-1-sulfonic acid (4-nitrophenyl) ester
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Formula C11H12Cl3NO5S
InChI InChI=1S/C11H12Cl3NO5S/c12-11(13,14)7-1-2-8-21(18,19)20-10-5-3-9(4-6-10)15(16)17/h3-6H,1-2,7-8H2
InChIKey GZOVVTSOTCKNEX-UHFFFAOYSA-N
Molecular Weight 376.638 g/mol
SMILES C(CC(Cl)(Cl)Cl)CCS(Oc1ccc(N(=O)=O)cc1)(=O)=O
SPLASH splash10-000i-9400000000-781a8fa417e7c9a24d46
Wiley ID 1440179