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3-keto-1-[(E)-3-phenylprop-2-enyl]-2,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylic acid tert-butyl ester
SpectraBase Compound ID q489NLHXmZ
InChI InChI=1S/C20H25N3O3/c1-20(2,3)26-19(25)22-13-11-17-16(14-22)18(24)21-23(17)12-7-10-15-8-5-4-6-9-15/h4-10H,11-14H2,1-3H3,(H,21,24)/b10-7+
InChIKey WXSJIFWEDFKFIT-JXMROGBWSA-N
Mol Weight 355.44 g/mol
Molecular Formula C20H25N3O3
Exact Mass 355.189592 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HwHye29rC5T
Name 3-keto-1-[(E)-3-phenylprop-2-enyl]-2,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylic acid tert-butyl ester
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H25N3O3
InChI InChI=1S/C20H25N3O3/c1-20(2,3)26-19(25)22-13-11-17-16(14-22)18(24)21-23(17)12-7-10-15-8-5-4-6-9-15/h4-10H,11-14H2,1-3H3,(H,21,24)/b10-7+
InChIKey WXSJIFWEDFKFIT-JXMROGBWSA-N
Literature Reference Author T.PARELLA,F.SANCHEZ-FERRANDO,A.VIRGILI
Literature Reference Citation MAGN.RES.CHEM.,32,343(1994)
Literature Reference DOI 10.1002/mrc.1260320606
Molecular Weight 355.437 g/mol
Solvent CDCl3
Source File Reference UWCP808