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4-ALLYL-2-METHYLSULFONYL-[1,2,4]-TRIAZOLO-[1,5-A]-QUINAZOLIN-5-ONE
SpectraBase Compound ID BKfVcC8KhJk
InChI InChI=1S/C13H12N4O3S/c1-3-8-16-11(18)9-6-4-5-7-10(9)17-13(16)14-12(15-17)21(2,19)20/h3-7H,1,8H2,2H3
InChIKey CMXDAKGCDKDBCL-UHFFFAOYSA-N
Mol Weight 304.32 g/mol
Molecular Formula C13H12N4O3S
Exact Mass 304.063011 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 13FkLD9WYAf
Name 4-ALLYL-2-METHYLSULFONYL-[1,2,4]-TRIAZOLO-[1,5-A]-QUINAZOLIN-5-ONE
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H12N4O3S
InChI InChI=1S/C13H12N4O3S/c1-3-8-16-11(18)9-6-4-5-7-10(9)17-13(16)14-12(15-17)21(2,19)20/h3-7H,1,8H2,2H3
InChIKey CMXDAKGCDKDBCL-UHFFFAOYSA-N
Literature Reference Author R.AL-SALAHI,K.E.EL-TAHIR,I.ALSWAIDAN,N.LOLAK,M.HAMIDADDIN,M. MARZOUK
Literature Reference Citation CHEM.CENTR.J.,8,3,1(2014)
Literature Reference DOI 10.1186/1752-153x-8-3
Molecular Weight 304.323 g/mol
Solvent DMSO-D6
Source File Reference UWIR11407