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2-(METHYLTHIOL)-4-TRIFLUOROMETHYL-PYRROLO-[2,3-D]-PYRIMIDINE
SpectraBase Compound ID Ipb0lleLu4w
InChI InChI=1S/C8H6F3N3S/c1-15-7-13-5(8(9,10)11)4-2-3-12-6(4)14-7/h2-3H,1H3,(H,12,13,14)
InChIKey BGNGXFPXFIXQQI-UHFFFAOYSA-N
Mol Weight 233.21 g/mol
Molecular Formula C8H6F3N3S
Exact Mass 233.023453 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5nCjlAvItn1
Name 2-(METHYLTHIOL)-4-TRIFLUOROMETHYL-PYRROLO-[2,3-D]-PYRIMIDINE
Compound Number 12F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H6F3N3S
InChI InChI=1S/C8H6F3N3S/c1-15-7-13-5(8(9,10)11)4-2-3-12-6(4)14-7/h2-3H,1H3,(H,12,13,14)
InChIKey BGNGXFPXFIXQQI-UHFFFAOYSA-N
Literature Reference Author J.DREXLER,U.GROTH
Literature Reference Citation EUR.J.ORG.CHEM.,2014,6314(2014)
Literature Reference DOI 10.1002/ejoc.201402755
Solvent DMSO-D6
Source File Reference UWIR19260