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METHYL_1-[2-(1-PHENYLSULFONYLPYRROLO-[2.3-B]-PYRIDIN-3-YL)-ETHYL]-4-PIPERIDINEACETATE
SpectraBase Compound ID GCDclcA7sWS
InChI InChI=1S/C23H27N3O4S/c1-30-22(27)16-18-9-13-25(14-10-18)15-11-19-17-26(23-21(19)8-5-12-24-23)31(28,29)20-6-3-2-4-7-20/h2-8,12,17-18H,9-11,13-16H2,1H3
InChIKey ROIOHFHJEWMSQI-UHFFFAOYSA-N
Mol Weight 441.55 g/mol
Molecular Formula C23H27N3O4S
Exact Mass 441.172228 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A0INsSe0lEB
Name METHYL_1-[2-(1-PHENYLSULFONYLPYRROLO-[2.3-B]-PYRIDIN-3-YL)-ETHYL]-4-PIPERIDINEACETATE
Compound Number 15B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H27N3O4S
InChI InChI=1S/C23H27N3O4S/c1-30-22(27)16-18-9-13-25(14-10-18)15-11-19-17-26(23-21(19)8-5-12-24-23)31(28,29)20-6-3-2-4-7-20/h2-8,12,17-18H,9-11,13-16H2,1H3
InChIKey ROIOHFHJEWMSQI-UHFFFAOYSA-N
Literature Reference Author Y.BLACHE,M.HICHOUR,O.CHAVIGNON,A.GUEIFFIER,J.C.TEULADE,G.DAU PHIN,J.P.CHAPAT
Literature Reference Citation HETEROCYCLES,45,57(1997)
Literature Reference DOI 10.3987/COM-96-7605
Molecular Weight 441.545 g/mol
Solvent CDCl3
Source File Reference UWMZ2112