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2,4-DICHLORO-4-METHYL-BENZENESULFONIC-ACID

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2,4-DICHLORO-4-METHYL-BENZENESULFONIC-ACID
SpectraBase Compound ID BPp9Jz0V0Fr
InChI InChI=1S/C7H6Cl2O3S/c1-4-2-6(9)7(3-5(4)8)13(10,11)12/h2-3H,1H3,(H,10,11,12)
InChIKey SHIXSMOZIHZFTH-UHFFFAOYSA-N
Mol Weight 241.09 g/mol
Molecular Formula C7H6Cl2O3S
Exact Mass 239.941471 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 99znbcecltW
Name 2,4-DICHLORO-4-METHYL-BENZENESULFONIC-ACID
Compound Number 223
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H6Cl2O3S
InChI InChI=1S/C7H6Cl2O3S/c1-4-2-6(9)7(3-5(4)8)13(10,11)12/h2-3H,1H3,(H,10,11,12)
InChIKey SHIXSMOZIHZFTH-UHFFFAOYSA-N
Literature Reference Author W.ROBIEN
Literature Reference Citation W.ROBIEN,PRIVATE_COMMUNICATION
Molecular Weight 241.089 g/mol
Sample ID 3531
Solvent DMSO-D6