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4-Nitro-3-(toluene-4-sulfonylmethyl)phenol
SpectraBase Compound ID FWwIttzGa6E
InChI InChI=1S/C14H13NO5S/c1-10-2-5-13(6-3-10)21(19,20)9-11-8-12(16)4-7-14(11)15(17)18/h2-8,16H,9H2,1H3
InChIKey UJPPLEOTFXXXKN-UHFFFAOYSA-N
Mol Weight 307.32 g/mol
Molecular Formula C14H13NO5S
Exact Mass 307.051444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CKlwzStcNHp
Name 4-Nitro-3-(toluene-4-sulfonylmethyl)phenol
Alternate Name(s) 3-{[(4-methylphenyl)sulfonyl]methyl}-4-nitrophenol
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Formula C14H13NO5S
InChI InChI=1S/C14H13NO5S/c1-10-2-5-13(6-3-10)21(19,20)9-11-8-12(16)4-7-14(11)15(17)18/h2-8,16H,9H2,1H3
InChIKey UJPPLEOTFXXXKN-UHFFFAOYSA-N
Molecular Weight 307.320 g/mol
SMILES Oc1cc(c(cc1)N(=O)=O)CS(=O)(=O)c1ccc(cc1)C
SPLASH splash10-0w2c-5930000000-d5a4fef044fc721b3fc0
Source of Spectrum F-53-4749-25
Wiley ID 801378