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3-Nitro-4-(toluene-4-sulfonylmethyl)phenol
SpectraBase Compound ID IrRtUNx3c8U
InChI InChI=1S/C14H13NO5S/c1-10-2-6-13(7-3-10)21(19,20)9-11-4-5-12(16)8-14(11)15(17)18/h2-8,16H,9H2,1H3
InChIKey COBAIPGUINXGBM-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 3wqXYJk4lJN
Name 3-Nitro-4-(toluene-4-sulfonylmethyl)phenol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H13NO5S
InChI InChI=1S/C14H13NO5S/c1-10-2-6-13(7-3-10)21(19,20)9-11-4-5-12(16)8-14(11)15(17)18/h2-8,16H,9H2,1H3
InChIKey COBAIPGUINXGBM-UHFFFAOYSA-N
Molecular Weight 307.320 g/mol
SMILES Oc1cc(c(cc1)CS(=O)(=O)c1ccc(cc1)C)N(=O)=O
SPLASH splash10-0udl-9600000000-6d705dfc5495abbc1ee5
Source of Spectrum F-53-4749-23
Synonyms 4-{[(4-methylphenyl)sulfonyl]methyl}-3-nitrophenol
Wiley ID 801380