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1-(TETRAZOL-5-YLATE)-2,6-DIMETHYL-4-PHENYL-PYRIDINIUM
SpectraBase Compound ID FequbbRtsD1
InChI InChI=1S/C14H13N5/c1-10-8-13(12-6-4-3-5-7-12)9-11(2)19(10)14-15-17-18-16-14/h3-9H,1-2H3
InChIKey MXCIAMYGWLWKLJ-UHFFFAOYSA-N
Mol Weight 251.29 g/mol
Molecular Formula C14H13N5
Exact Mass 251.117095 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 42GfFEOqam
Name 1-(TETRAZOL-5-YLATE)-2,6-DIMETHYL-4-PHENYL-PYRIDINIUM
Compound Number 35
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H13N5
InChI InChI=1S/C14H13N5/c1-10-8-13(12-6-4-3-5-7-12)9-11(2)19(10)14-15-17-18-16-14/h3-9H,1-2H3
InChIKey MXCIAMYGWLWKLJ-UHFFFAOYSA-N
Literature Reference Author M.ILIES,M.D.BANCIU,M.A.ILIES,A.SCOZZAFAWA,M.T.CAPROIU,C.T.SU PURAN
Literature Reference Citation J.MED.CHEM.,45,504(2002)
Literature Reference DOI 10.1021/jm011031n
Molecular Weight 251.291 g/mol
Sample ID 40926
Solvent DMSO-D6