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2-[.beta.-D-Ribofuranosyl]-3,6-bis(trifluoromethyl)pyridine
SpectraBase Compound ID EArPyTagMiR
InChI InChI=1S/C12H11F6NO4/c13-11(14,15)4-1-2-6(12(16,17)18)19-7(4)10-9(22)8(21)5(3-20)23-10/h1-2,5,8-10,20-22H,3H2/t5-,8-,9-,10+/m1/s1
InChIKey ZKOQTZRBWCVFTL-KBHCAIDQSA-N
Mol Weight 347.21 g/mol
Molecular Formula C12H11F6NO4
Exact Mass 347.059227 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5pCTRSdDSYd
Name 2-[.beta.-D-Ribofuranosyl]-3,6-bis(trifluoromethyl)pyridine
Comments Less than 3 mono-isotopic peaks
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Formula C12H11F6NO4
InChI InChI=1S/C12H11F6NO4/c13-11(14,15)4-1-2-6(12(16,17)18)19-7(4)10-9(22)8(21)5(3-20)23-10/h1-2,5,8-10,20-22H,3H2/t5-,8-,9-,10+/m1/s1
InChIKey ZKOQTZRBWCVFTL-KBHCAIDQSA-N
Molecular Weight 347.213 g/mol
SMILES O[C@@]1([C@@]([C@@](CO)(O[C@]1(c1c(ccc(n1)C(F)(F)F)C(F)(F)F)[H])[H])(O)[H])[H]
SPLASH splash10-0a4i-0090000000-770dfcc50f51b37716a0
Source of Spectrum D8-328-180-24
Synonyms (1S)-1,4-anhydro-1-[3,6-bis(trifluoromethyl)-2-pyridinyl]-D-ribitol
Wiley ID 1515710