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p-Nitrotoluene-o-sulfonic acid
SpectraBase Compound ID 7xe9q4I1jc0
InChI InChI=1S/C7H7NO5S/c1-5-2-3-6(8(9)10)4-7(5)14(11,12)13/h2-4H,1H3,(H,11,12,13)
InChIKey ZDTXQHVBLWYPHS-UHFFFAOYSA-N
Mol Weight 217.19 g/mol
Molecular Formula C7H7NO5S
Exact Mass 217.004493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FIX9FiRjk8P
Name 2-Methyl-5-nitrobenzenesulphonic acid
Alternate Name(s) 2-Methyl-5-nitro-benzenesulfonic acid 4-Nitro-2-toluenesulfonic acid 4-Nitrotoluene-2-sulfonic acid 5-Nitro-o-toluenesulfonic acid Benzenesulfonic acid, 2-methyl-5-nitro- Kyselina 4-nitrotoluen-2-sulfonova o-Toluenesulfonic acid, 5-nitro- p-Nitrotoluene-o-sulfonic acid PNTOS
CAS Registry Number 121-03-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H7NO5S
InChI InChI=1S/C7H7NO5S/c1-5-2-3-6(8(9)10)4-7(5)14(11,12)13/h2-4H,1H3,(H,11,12,13)
InChIKey ZDTXQHVBLWYPHS-UHFFFAOYSA-N
Molecular Weight 217.195 g/mol
SMILES OS(c1cc(N(=O)=O)ccc1C)(=O)=O
SPLASH splash10-004i-9230000000-c442f3a11e78d6e944d8
Source of Spectrum IC-556-0-0
Wiley ID 1216259