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1-{2-[5-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-2H-tetrazol-2-yl]propionyl}-2-(methylsulfonyl)hydrazine
SpectraBase Compound ID 4LRLDUFRg0P
InChI InChI=1S/C13H12F6N6O3S/c1-6(11(26)21-24-29(2,27)28)25-22-10(20-23-25)7-3-8(12(14,15)16)5-9(4-7)13(17,18)19/h3-6,24H,1-2H3,(H,21,26)
InChIKey DVBWLZLFVCPUQT-UHFFFAOYSA-N
Mol Weight 446.33 g/mol
Molecular Formula C13H12F6N6O3S
Exact Mass 446.059578 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HkXWNgWl7ma
Name 1-{2-[5-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-2H-tetrazol-2-yl]propionyl}-2-(methylsulfonyl)hydrazine
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Formula C13H12F6N6O3S
InChI InChI=1S/C13H12F6N6O3S/c1-6(11(26)21-24-29(2,27)28)25-22-10(20-23-25)7-3-8(12(14,15)16)5-9(4-7)13(17,18)19/h3-6,24H,1-2H3,(H,21,26)
InChIKey DVBWLZLFVCPUQT-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Sadtler NMR Number 56181M
Solvent Polysol