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3-(3-CHLOROPHENYL)-5-METHYLSULFONYL-4H-1,2,4-TRIAZOLE

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3-(3-CHLOROPHENYL)-5-METHYLSULFONYL-4H-1,2,4-TRIAZOLE
SpectraBase Compound ID AQ1Id2KKruN
InChI InChI=1S/C9H8ClN3S/c1-14-9-11-8(12-13-9)6-3-2-4-7(10)5-6/h2-5H,1H3,(H,11,12,13)
InChIKey KFFRPOZFYHIQFY-UHFFFAOYSA-N
Mol Weight 225.7 g/mol
Molecular Formula C9H8ClN3S
Exact Mass 225.012746 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ez7UgdRbGgU
Name 3-(3-CHLOROPHENYL)-5-METHYLSULFONYL-4H-1,2,4-TRIAZOLE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H8ClN3S
InChI InChI=1S/C9H8ClN3S/c1-14-9-11-8(12-13-9)6-3-2-4-7(10)5-6/h2-5H,1H3,(H,11,12,13)
InChIKey KFFRPOZFYHIQFY-UHFFFAOYSA-N
Literature Reference Author A.S.ALI,J.S.WILKIE,K.N.WINZENBERG
Literature Reference Citation AUSTR.J.CHEM.,50,911(1997)
Literature Reference DOI 10.1071/C97058
Molecular Weight 225.696 g/mol
Solvent CDCl3
Source File Reference UWCS14912