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2-CHLORO-6-IODO-4-(METHYLSULFONYL)-TOLUENE;ISOMER-1

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2-CHLORO-6-IODO-4-(METHYLSULFONYL)-TOLUENE;ISOMER-1
SpectraBase Compound ID 9Dt2Mafsm1f
InChI InChI=1S/C8H8ClIO3S/c1-5-7(9)3-6(4-8(5)10)14(11,12)13-2/h3-4H,1-2H3
InChIKey IRWAVPSPYVJZSK-UHFFFAOYSA-N
Mol Weight 346.57 g/mol
Molecular Formula C8H8ClIO3S
Exact Mass 345.892738 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Am5StlQfrj9
Name 2-CHLORO-6-IODO-4-(METHYLSULFONYL)-TOLUENE;ISOMER-1
Compound Number 224
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H8ClIO3S
InChI InChI=1S/C8H8ClIO3S/c1-5-7(9)3-6(4-8(5)10)14(11,12)13-2/h3-4H,1-2H3
InChIKey IRWAVPSPYVJZSK-UHFFFAOYSA-N
Literature Reference Author W.ROBIEN
Literature Reference Citation W.ROBIEN,PRIVATE_COMMUNICATION
Molecular Weight 346.567 g/mol
Sample ID 3529
Solvent DMSO-D6