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1-EXO-CYANO-1-ENDO-METHYLTHIO-[1,3]-THIAZOLO-[4,3-A]-PHTHALAZINE
SpectraBase Compound ID 3HZ4x6zfYIc
InChI InChI=1S/C12H11N3S2/c1-16-12(7-13)11-10-5-3-2-4-9(10)6-14-15(11)8-17-12/h2-6,11H,8H2,1H3/t11-,12-/m0/s1
InChIKey BZHITDKGDNKHQN-RYUDHWBXSA-N
Mol Weight 261.36 g/mol
Molecular Formula C12H11N3S2
Exact Mass 261.03944 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IEiUcoZnVlX
Name 1-EXO-CYANO-1-ENDO-METHYLTHIO-[1,3]-THIAZOLO-[4,3-A]-PHTHALAZINE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11N3S2
InChI InChI=1S/C12H11N3S2/c1-16-12(7-13)11-10-5-3-2-4-9(10)6-14-15(11)8-17-12/h2-6,11H,8H2,1H3/t11-,12-/m0/s1
InChIKey BZHITDKGDNKHQN-RYUDHWBXSA-N
Literature Reference Author R.N.BUTLER,D.M.FARRELL,P.MCARDLE,D.CUNNINGHAM
Literature Reference Citation J.CHEM.SOC.PERKIN-1,869(1998)
Literature Reference DOI 10.1039/a707951f
Molecular Weight 261.359 g/mol
Solvent CDCl3
Source File Reference UWGE2853