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alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-2-{{[5-HYDROXY-4-(HYDROXYMETHYL)-6-METHYL-3-PYRIDYL]METHYL}THIO}-3',5'-ACETOXYLIDIDE

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alpha,alpha,alpha,alpha',alpha',alpha'-HEXAFLUORO-2-{{[5-HYDROXY-4-(HYDROXYMETHYL)-6-METHYL-3-PYRIDYL]METHYL}THIO}-3',5'-ACETOXYLIDIDE
SpectraBase Compound ID 9fVLAOYhBNL
InChI InChI=1S/C18H16F6N2O3S/c1-9-16(29)14(6-27)10(5-25-9)7-30-8-15(28)26-13-3-11(17(19,20)21)2-12(4-13)18(22,23)24/h2-5,27,29H,6-8H2,1H3,(H,26,28)
InChIKey XIUWWYVOLKAHMC-UHFFFAOYSA-N
Mol Weight 454.39 g/mol
Molecular Formula C18H16F6N2O3S
Exact Mass 454.078583 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dml60nWvbHs
Name alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-2-{{[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methyl}thio}-3',5'-acetoxylidide
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16F6N2O3S
InChI InChI=1S/C18H16F6N2O3S/c1-9-16(29)14(6-27)10(5-25-9)7-30-8-15(28)26-13-3-11(17(19,20)21)2-12(4-13)18(22,23)24/h2-5,27,29H,6-8H2,1H3,(H,26,28)
InChIKey XIUWWYVOLKAHMC-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 33454M
Solvent Polysol