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2-METHYLTHIO-7-CHLOROMETHYL-1,2,4-TRIAZOLO-[1,5-A]-PYRIMIDIN-5(8H)-ONE
SpectraBase Compound ID HAEqoH50Sok
InChI InChI=1S/C7H7ClN4OS/c1-14-7-10-6-9-4(3-8)2-5(13)12(6)11-7/h2H,3H2,1H3,(H,9,10,11)
InChIKey CTOUTVBPXMQPBA-UHFFFAOYSA-N
Mol Weight 230.67 g/mol
Molecular Formula C7H7ClN4OS
Exact Mass 230.00291 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1vCtv5snAQI
Name 2-METHYLTHIO-7-CHLOROMETHYL-1,2,4-TRIAZOLO-[1,5-A]-PYRIMIDIN-5(8H)-ONE
Compound Number 3/19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H7ClN4OS
InChI InChI=1S/C7H7ClN4OS/c1-14-7-10-6-9-4(3-8)2-5(13)12(6)11-7/h2H,3H2,1H3,(H,9,10,11)
InChIKey CTOUTVBPXMQPBA-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 230.672 g/mol
Solvent DMSO-D6
Source File Reference UWCS12835