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2-Nitro-3-(toluene-4-sulfonylmethyl)phenol
SpectraBase Compound ID 35H5699uHF2
InChI InChI=1S/C14H13NO5S/c1-10-5-7-12(8-6-10)21(19,20)9-11-3-2-4-13(16)14(11)15(17)18/h2-8,16H,9H2,1H3
InChIKey YVWLAHZFTTWCEU-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 rkNlT93Vau
Name 2-Nitro-3-(toluene-4-sulfonylmethyl)phenol
Alternate Name(s) 3-{[(4-methylphenyl)sulfonyl]methyl}-2-nitrophenol
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Formula C14H13NO5S
InChI InChI=1S/C14H13NO5S/c1-10-5-7-12(8-6-10)21(19,20)9-11-3-2-4-13(16)14(11)15(17)18/h2-8,16H,9H2,1H3
InChIKey YVWLAHZFTTWCEU-UHFFFAOYSA-N
Molecular Weight 307.320 g/mol
SMILES Oc1c(c(ccc1)CS(=O)(=O)c1ccc(cc1)C)N(=O)=O
SPLASH splash10-0udi-3900000000-54f83be0073c594f9744
Source of Spectrum F-53-4749-22
Wiley ID 801382