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{{4-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-5-[(1-naphthyl)methyl]1,2,4-triazol-3-yl}thio}acetic acid

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{{4-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-5-[(1-naphthyl)methyl]1,2,4-triazol-3-yl}thio}acetic acid
SpectraBase Compound ID F8SdRBFN2Lr
InChI InChI=1S/C23H15F6N3O2S/c24-22(25,26)15-9-16(23(27,28)29)11-17(10-15)32-19(30-31-21(32)35-12-20(33)34)8-14-6-3-5-13-4-1-2-7-18(13)14/h1-7,9-11H,8,12H2,(H,33,34)
InChIKey KDCFNTWJBWACKH-UHFFFAOYSA-N
Mol Weight 511.44 g/mol
Molecular Formula C23H15F6N3O2S
Exact Mass 511.078917 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Iy20FBQzUXF
Name {{4-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-5-[(1-naphthyl)methyl]1,2,4-triazol-3-yl}thio}acetic acid
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H15F6N3O2S
InChI InChI=1S/C23H15F6N3O2S/c24-22(25,26)15-9-16(23(27,28)29)11-17(10-15)32-19(30-31-21(32)35-12-20(33)34)8-14-6-3-5-13-4-1-2-7-18(13)14/h1-7,9-11H,8,12H2,(H,33,34)
InChIKey KDCFNTWJBWACKH-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 36030M
Solvent CDCl3