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3-CHLORO-5-IODO-4-METHYL-BENZENESULFONIC-ACID;ISOMER-1

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3-CHLORO-5-IODO-4-METHYL-BENZENESULFONIC-ACID;ISOMER-1
SpectraBase Compound ID LdEwtchtArH
InChI InChI=1S/C7H6ClIO3S/c1-4-6(8)2-5(3-7(4)9)13(10,11)12/h2-3H,1H3,(H,10,11,12)
InChIKey FHXUKTLMEQYRQH-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 GIfwhNBP4Ka
Name 3-CHLORO-5-IODO-4-METHYL-BENZENESULFONIC-ACID;ISOMER-1
Compound Number 224
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H6ClIO3S
InChI InChI=1S/C7H6ClIO3S/c1-4-6(8)2-5(3-7(4)9)13(10,11)12/h2-3H,1H3,(H,10,11,12)
InChIKey FHXUKTLMEQYRQH-UHFFFAOYSA-N
Literature Reference Author W.ROBIEN
Literature Reference Citation W.ROBIEN,PRIVATE_COMMUNICATION
Molecular Weight 332.540 g/mol
Sample ID 3528
Solvent DMSO-D6