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3-(4-METHOXYPHENYLMETHYL)-4-(3-CHLOROPHENYL)-8-OXO-4,5,6,7-TETRAHYDROCYClOPENTA-[B]-1,2,3-TRIAZOLO-[4.5-E]-PYRIDINE
SpectraBase Compound ID 7YfDdDh5U3q
InChI InChI=1S/C22H19ClN4O2/c1-29-17-10-8-14(9-11-17)13-26-22-20(24-25-26)21(28)18-6-3-7-19(18)27(22)16-5-2-4-15(23)12-16/h2,4-5,8-12H,3,6-7,13H2,1H3
InChIKey BSYDAYWMLMGARM-UHFFFAOYSA-N
Mol Weight 406.87 g/mol
Molecular Formula C22H19ClN4O2
Exact Mass 406.119654 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3IS2QcciwSw
Name 3-(4-METHOXYPHENYLMETHYL)-4-(3-CHLOROPHENYL)-8-OXO-4,5,6,7-TETRAHYDROCYClOPENTA-[B]-1,2,3-TRIAZOLO-[4.5-E]-PYRIDINE
Compound Number 8.4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H19ClN4O2
InChI InChI=1S/C22H19ClN4O2/c1-29-17-10-8-14(9-11-17)13-26-22-20(24-25-26)21(28)18-6-3-7-19(18)27(22)16-5-2-4-15(23)12-16/h2,4-5,8-12H,3,6-7,13H2,1H3
InChIKey BSYDAYWMLMGARM-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 406.871 g/mol
Solvent CDCl3
Source File Reference UWMZ1109