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2-CHLORO-6-IODO-4-METHYL-BENZENESULFONIC-ACID;ISOMER-2

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2-CHLORO-6-IODO-4-METHYL-BENZENESULFONIC-ACID;ISOMER-2
SpectraBase Compound ID EiRZaEeI1Ld
InChI InChI=1S/C7H6ClIO3S/c1-4-2-5(8)7(6(9)3-4)13(10,11)12/h2-3H,1H3,(H,10,11,12)
InChIKey KXJJJOQUEHGTEB-UHFFFAOYSA-N
Mol Weight 332.54 g/mol
Molecular Formula C7H6ClIO3S
Exact Mass 331.877088 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9cZ9EwEBoXA
Name 2-CHLORO-6-IODO-4-METHYL-BENZENESULFONIC-ACID;ISOMER-2
Compound Number 224
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H6ClIO3S
InChI InChI=1S/C7H6ClIO3S/c1-4-2-5(8)7(6(9)3-4)13(10,11)12/h2-3H,1H3,(H,10,11,12)
InChIKey KXJJJOQUEHGTEB-UHFFFAOYSA-N
Literature Reference Author W.ROBIEN
Literature Reference Citation W.ROBIEN,PRIVATE_COMMUNICATION
Molecular Weight 332.540 g/mol
Sample ID 3527
Solvent DMSO-D6