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3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propionic acid
SpectraBase Compound ID CiZ4uNFVOVh
InChI InChI=1S/C12H15NO4S/c14-12(15)6-8-18(16,17)13-7-5-10-3-1-2-4-11(10)9-13/h1-4H,5-9H2,(H,14,15)
InChIKey BVHCQKSCHOVPLK-UHFFFAOYSA-N
Mol Weight 269.31 g/mol
Molecular Formula C12H15NO4S
Exact Mass 269.072179 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID wRWmXtVFHY
Name 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propionic acid
Compound Number 24
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H15NO4S
InChI InChI=1S/C12H15NO4S/c14-12(15)6-8-18(16,17)13-7-5-10-3-1-2-4-11(10)9-13/h1-4H,5-9H2,(H,14,15)
InChIKey BVHCQKSCHOVPLK-UHFFFAOYSA-N
Literature Reference Author J.L.JILOS,G.P.ROMANELLI,J.C.AUTINO,H.E.GIACCIO,H.DUDDECK,M.W IEBCKE
Literature Reference Citation MAGN.RES.CHEM.,43,1057(2005)
Literature Reference DOI 10.1002/mrc.1657
Molecular Weight 269.315 g/mol
Solvent CDCl3
Source File Reference UWLU36530