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2-Methyl-5-propan-2-yl-benzenesulfonic acid
SpectraBase Compound ID 2xfWB3fIjU4
InChI InChI=1S/C10H14O3S/c1-7(2)9-5-4-8(3)10(6-9)14(11,12)13/h4-7H,1-3H3,(H,11,12,13)
InChIKey OORBHYFTTSLSRU-UHFFFAOYSA-N
Mol Weight 214.28 g/mol
Molecular Formula C10H14O3S
Exact Mass 214.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6QUQ3LJgQrm
Name 2-Methyl-5-propan-2-yl-benzenesulfonic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O3S
InChI InChI=1S/C10H14O3S/c1-7(2)9-5-4-8(3)10(6-9)14(11,12)13/h4-7H,1-3H3,(H,11,12,13)
InChIKey OORBHYFTTSLSRU-UHFFFAOYSA-N
Molecular Weight 214.279 g/mol
SMILES OS(c1cc(C(C)C)ccc1C)(=O)=O
SPLASH splash10-055g-4900000000-215dd45ce2c75d50d95f
Source of Spectrum O-19-49-8
Synonyms 5-isopropyl-2-methyl-benzenesulfonic acid 5-isopropyl-2-methyl-besylic acid
Wiley ID 1213196