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2,3,6-TRICHLORO-4-METHYL-BENZENESULFONIC-ACID;ISOMER-1

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2,3,6-TRICHLORO-4-METHYL-BENZENESULFONIC-ACID;ISOMER-1
SpectraBase Compound ID 4lYrPTXStbp
InChI InChI=1S/C7H5Cl3O3S/c1-3-2-4(8)7(14(11,12)13)6(10)5(3)9/h2H,1H3,(H,11,12,13)
InChIKey NSJBTYMJKMVRGI-UHFFFAOYSA-N
Mol Weight 275.53 g/mol
Molecular Formula C7H5Cl3O3S
Exact Mass 273.902498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KE8gugQIDZ3
Name 2,3,6-TRICHLORO-4-METHYL-BENZENESULFONIC-ACID;ISOMER-1
Compound Number 225
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H5Cl3O3S
InChI InChI=1S/C7H5Cl3O3S/c1-3-2-4(8)7(14(11,12)13)6(10)5(3)9/h2H,1H3,(H,11,12,13)
InChIKey NSJBTYMJKMVRGI-UHFFFAOYSA-N
Literature Reference Author W.ROBIEN
Literature Reference Citation W.ROBIEN,PRIVATE_COMMUNICATION
Molecular Weight 275.534 g/mol
Sample ID 3525
Solvent DMSO-D6