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4-isopropylbenzenesulfonic acid

View entire compound with spectra: 1 MS (GC)

4-isopropylbenzenesulfonic acid
SpectraBase Compound ID 1cqPS3mPoed
InChI InChI=1S/C9H12O3S/c1-7(2)8-3-5-9(6-4-8)13(10,11)12/h3-7H,1-2H3,(H,10,11,12)
InChIKey CVLHGLWXLDOELD-UHFFFAOYSA-N
Mol Weight 200.25 g/mol
Molecular Formula C9H12O3S
Exact Mass 200.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXTGPo8wHaE
Name 4-isopropylbenzenesulfonic acid
Alternate Name(s) 4-isopropylbesylic acid 4-Propan-2-ylbenzenesulfonic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O3S
InChI InChI=1S/C9H12O3S/c1-7(2)8-3-5-9(6-4-8)13(10,11)12/h3-7H,1-2H3,(H,10,11,12)
InChIKey CVLHGLWXLDOELD-UHFFFAOYSA-N
Molecular Weight 200.252 g/mol
SMILES OS(c1ccc(cc1)C(C)C)(=O)=O
SPLASH splash10-054x-8910000000-c44712948660d14e2c83
Source of Spectrum O-19-49-6
Wiley ID 1197247