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1-[2-(1H-PYRROLO-[2.3-B]-PYRIDIN-3-YL)-2-HYDROXYETHYL]-2-PIPERIDONE-4-ETHYLENE_KETAL
SpectraBase Compound ID FMMdGj3miWX
InChI InChI=1S/C16H19N3O4/c20-13(12-9-18-15-11(12)2-1-4-17-15)10-19-5-3-16(8-14(19)21)22-6-7-23-16/h1-2,4,9,13,20H,3,5-8,10H2,(H,17,18)
InChIKey DVQFXWYCMHNHAE-UHFFFAOYSA-N
Mol Weight 317.35 g/mol
Molecular Formula C16H19N3O4
Exact Mass 317.137556 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6iEOOOhrAe7
Name 1-[2-(1H-PYRROLO-[2.3-B]-PYRIDIN-3-YL)-2-HYDROXYETHYL]-2-PIPERIDONE-4-ETHYLENE_KETAL
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H19N3O4
InChI InChI=1S/C16H19N3O4/c20-13(12-9-18-15-11(12)2-1-4-17-15)10-19-5-3-16(8-14(19)21)22-6-7-23-16/h1-2,4,9,13,20H,3,5-8,10H2,(H,17,18)
InChIKey DVQFXWYCMHNHAE-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 317.345 g/mol
Solvent CDCl3
Source File Reference UWMZ2100