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2-BENZYLAMINO-7-CHLOROMETHYL-1,2,4-TRIAZOLO-[1,5-A]-PYRIMIDIN-5(8H)-ONE
SpectraBase Compound ID IoTfo6I4JRg
InChI InChI=1S/C13H12ClN5O/c14-7-10-6-11(20)19-13(16-10)17-12(18-19)15-8-9-4-2-1-3-5-9/h1-6H,7-8H2,(H2,15,16,17,18)
InChIKey VRJKIZKLPQLFOP-UHFFFAOYSA-N
Mol Weight 289.73 g/mol
Molecular Formula C13H12ClN5O
Exact Mass 289.073038 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1zXSovdc0Fy
Name 2-BENZYLAMINO-7-CHLOROMETHYL-1,2,4-TRIAZOLO-[1,5-A]-PYRIMIDIN-5(8H)-ONE
Compound Number 3/20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H12ClN5O
InChI InChI=1S/C13H12ClN5O/c14-7-10-6-11(20)19-13(16-10)17-12(18-19)15-8-9-4-2-1-3-5-9/h1-6H,7-8H2,(H2,15,16,17,18)
InChIKey VRJKIZKLPQLFOP-UHFFFAOYSA-N
Literature Reference Author J.REITER,L.PONGO,T.SOMORAI,I.PALLAGI
Literature Reference Citation MH.CHEM.,121,173(1990)
Literature Reference DOI 10.1007/BF00809530
Molecular Weight 289.724 g/mol
Solvent DMSO-D6
Source File Reference UWCS12836