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[3-[3-(AMIDOMETHYL)-2-ETHYL-1-(PHENYLMETHYL)-INDOL-5-YL]-OXY]-PROPYL-PHOSPHONIC-ACID
SpectraBase Compound ID 4uXuUlIV8gx
InChI InChI=1S/C22H27N2O5P/c1-2-20-19(14-22(23)25)18-13-17(29-11-6-12-30(26,27)28)9-10-21(18)24(20)15-16-7-4-3-5-8-16/h3-5,7-10,13H,2,6,11-12,14-15H2,1H3,(H2,23,25)(H2,26,27,28)
InChIKey OPWQYOUZRHDKBR-UHFFFAOYSA-N
Mol Weight 430.44 g/mol
Molecular Formula C22H27N2O5P
Exact Mass 430.165759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5zf4XLjgZsd
Name [3-[3-(AMIDOMETHYL)-2-ETHYL-1-(PHENYLMETHYL)-INDOL-5-YL]-OXY]-PROPYL-PHOSPHONIC-ACID
Compound Number 29
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H25N2O5P
InChI InChI=1S/C22H27N2O5P/c1-2-20-19(14-22(23)25)18-13-17(29-11-6-12-30(26,27)28)9-10-21(18)24(20)15-16-7-4-3-5-8-16/h3-5,7-10,13H,2,6,11-12,14-15H2,1H3,(H2,23,25)(H2,26,27,28)
InChIKey OPWQYOUZRHDKBR-UHFFFAOYSA-N
Literature Reference Author A.R.MAGUIRE,S.J.PLUNKETT,S.PAPOT,M.CLYNES,R.O.CONNOR,S.TOUHE Y
Literature Reference Citation BIOORG.MED.CHEM.,9,745(2001)
Literature Reference DOI 10.1016/S0968-0896(00)00292-3
Molecular Weight 428.425 g/mol
Solvent DMSO-D6
Source File Reference UWLU21878