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8-(3-CHLOROPHENYL)-1,8-DIHYDRO-1-(PHENYLMETHYL)-4-H-THIENO-[3.4-E]-1,2,3-TRIAZOLO-[4.5-B]-PYRIDIN-4-ONE
SpectraBase Compound ID DKh2aT64TIR
InChI InChI=1S/C20H13ClN4OS/c21-14-7-4-8-15(9-14)25-17-12-27-11-16(17)19(26)18-20(25)24(23-22-18)10-13-5-2-1-3-6-13/h1-9,11-12H,10H2
InChIKey YKPRKKWTNOZUFO-UHFFFAOYSA-N
Mol Weight 392.86 g/mol
Molecular Formula C20H13ClN4OS
Exact Mass 392.04986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ti8V2zFR2K
Name 8-(3-CHLOROPHENYL)-1,8-DIHYDRO-1-(PHENYLMETHYL)-4-H-THIENO-[3.4-E]-1,2,3-TRIAZOLO-[4.5-B]-PYRIDIN-4-ONE
Compound Number 19.2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H13ClN4OS
InChI InChI=1S/C20H13ClN4OS/c21-14-7-4-8-15(9-14)25-17-12-27-11-16(17)19(26)18-20(25)24(23-22-18)10-13-5-2-1-3-6-13/h1-9,11-12H,10H2
InChIKey YKPRKKWTNOZUFO-UHFFFAOYSA-N
Literature Reference Author T.M.CHAN,R.FRIARY,H.JONES,J.H.SCHWERDT,V.SEIDL,A.S.WATNICK,S .M.WILLIAMS
Literature Reference Citation J.HETCYCL.CHEM.,27,1135(1990)
Literature Reference DOI 10.1002/jhet.5570270462
Molecular Weight 392.862 g/mol
Solvent CDCl3:DMSO-D6
Source File Reference UWMZ1111