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5-CHLORO-3-PYRIDINOL, alpha,alpha,alpha-TRIFLUORO-p-TOLUENESULFONATE (ESTER)
SpectraBase Compound ID CvDwCL87ZgZ
InChI InChI=1S/C12H7ClF3NO3S/c13-9-5-10(7-17-6-9)20-21(18,19)11-3-1-8(2-4-11)12(14,15)16/h1-7H
InChIKey VTCNEQFJHJXYBP-UHFFFAOYSA-N
Mol Weight 337.7 g/mol
Molecular Formula C12H7ClF3NO3S
Exact Mass 336.978726 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3k7wFgv5TTF
Name 5-CHLORO-3-PYRIDINOL, alpha,alpha,alpha-TRIFLUORO-p-TOLUENESULFONATE (ESTER)
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H7ClF3NO3S
InChI InChI=1S/C12H7ClF3NO3S/c13-9-5-10(7-17-6-9)20-21(18,19)11-3-1-8(2-4-11)12(14,15)16/h1-7H
InChIKey VTCNEQFJHJXYBP-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 115-117C
Molecular Weight 337.71
Solvent CDCl3; Reference=TMS; Temperature 297K