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2,5-Dimethylbenzenesulfonic acid
SpectraBase Compound ID 5hhSQwgj8ug
InChI InChI=1S/C8H10O3S/c1-6-3-4-7(2)8(5-6)12(9,10)11/h3-5H,1-2H3,(H,9,10,11)
InChIKey IRLYGRLEBKCYPY-UHFFFAOYSA-N
Mol Weight 186.22 g/mol
Molecular Formula C8H10O3S
Exact Mass 186.035065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4IEpo4RCbxh
Name 2,5-Dimethylbenzenesulfonic acid
CAS Registry Number 609-54-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10O3S
InChI InChI=1S/C8H10O3S/c1-6-3-4-7(2)8(5-6)12(9,10)11/h3-5H,1-2H3,(H,9,10,11)
InChIKey IRLYGRLEBKCYPY-UHFFFAOYSA-N
Molecular Weight 186.225 g/mol
SMILES OS(c1c(ccc(c1)C)C)(=O)=O
SPLASH splash10-0udr-0900000000-ea3a89b190dca3d0143b
Synonyms 2,5-Dimethyl-benzenesulfonic acid 2,5-Dimethylbenzenesulfonate 2,5-Dimethylbesylic acid 2,5-Xylenesulfonic acid Benzenesulfonic acid, 2,5-dimethyl- p-Xylene-2-sulfonic acid p-Xylene-2-sulphonic acid p-Xylenesulfonic acid Xylenesulfonic acid EINECS 210-193-5
Wiley ID 1510184