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4-(PARA-NITROBENZYL)-2-METHYLSULFONYL-[1,2,4]-TRIAZOLO-[1,5-A]-QUINAZOLIN-5-ONE
SpectraBase Compound ID BmfH2Ciyjhl
InChI InChI=1S/C17H13N5O5S/c1-28(26,27)16-18-17-20(10-11-6-8-12(9-7-11)22(24)25)15(23)13-4-2-3-5-14(13)21(17)19-16/h2-9H,10H2,1H3
InChIKey CHHRRUCAAYMRBI-UHFFFAOYSA-N
Mol Weight 399.38 g/mol
Molecular Formula C17H13N5O5S
Exact Mass 399.06374 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Li0B5F0BOz4
Name 4-(PARA-NITROBENZYL)-2-METHYLSULFONYL-[1,2,4]-TRIAZOLO-[1,5-A]-QUINAZOLIN-5-ONE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H13N5O5S
InChI InChI=1S/C17H13N5O5S/c1-28(26,27)16-18-17-20(10-11-6-8-12(9-7-11)22(24)25)15(23)13-4-2-3-5-14(13)21(17)19-16/h2-9H,10H2,1H3
InChIKey CHHRRUCAAYMRBI-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 399.381 g/mol
Solvent DMSO-D6
Source File Reference UWIR11408