John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=3n7pFWHtL8D SpectraBase Spectrum ID=1JMdbKGXueV

(accessed ).
2-methylsulfanyl-4-prop-2-enyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one
SpectraBase Compound ID 3n7pFWHtL8D
InChI InChI=1S/C13H16N4OS/c1-3-8-16-10-7-5-4-6-9(10)11(18)17-13(16)14-12(15-17)19-2/h3H,1,4-8H2,2H3
InChIKey PBFWZGOZUPUNKL-UHFFFAOYSA-N
Mol Weight 276.36 g/mol
Molecular Formula C13H16N4OS
Exact Mass 276.104483 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1JMdbKGXueV
Name 2-methylsulfanyl-4-prop-2-enyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one
Compound Number 3F/4
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16N4OS
InChI InChI=1S/C13H16N4OS/c1-3-8-16-10-7-5-4-6-9(10)11(18)17-13(16)14-12(15-17)19-2/h3H,1,4-8H2,2H3
InChIKey PBFWZGOZUPUNKL-UHFFFAOYSA-N
Literature Reference Author G.BERECZ,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,38,237(2001)
Literature Reference DOI 10.1002/jhet.5570380136
Molecular Weight 276.356 g/mol
Solvent CDCl3
Source File Reference UWLU21031
SpectraBase Batch ID GWcEJ9ykLPu