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5-(2-CHLOROETHYL)-AMINO-2-ISOPROPYLTHIO-CYCLOPENTA-[D]-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDINE
SpectraBase Compound ID 6Fygr2Mtf8n
InChI InChI=1S/C13H18ClN5S/c1-8(2)20-13-17-12-16-10-5-3-4-9(10)11(15-7-6-14)19(12)18-13/h8,15H,3-7H2,1-2H3
InChIKey CRPZNIPAXXXFND-UHFFFAOYSA-N
Mol Weight 311.84 g/mol
Molecular Formula C13H18ClN5S
Exact Mass 311.097144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GCqoIEKg9EL
Name 5-(2-CHLOROETHYL)-AMINO-2-ISOPROPYLTHIO-CYCLOPENTA-[D]-[1,2,4]-TRIAZOLO-[1,5-A]-PYRIMIDINE
Compound Number 4/2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18ClN5S
InChI InChI=1S/C13H18ClN5S/c1-8(2)20-13-17-12-16-10-5-3-4-9(10)11(15-7-6-14)19(12)18-13/h8,15H,3-7H2,1-2H3
InChIKey CRPZNIPAXXXFND-UHFFFAOYSA-N
Literature Reference Author G.BERECZ,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,40,813(2003)
Literature Reference DOI 10.1002/jhet.5570400510
Molecular Weight 311.832 g/mol
Solvent CDCl3
Source File Reference UWMS22712