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2-(4-chlorobenzyl)sulfonyl-3,4-dihydro-1H-isoquinoline
SpectraBase Compound ID IBk57gqVDlf
InChI InChI=1S/C16H16ClNO2S/c17-16-7-5-13(6-8-16)12-21(19,20)18-10-9-14-3-1-2-4-15(14)11-18/h1-8H,9-12H2
InChIKey QBNGXPVQBUBVMA-UHFFFAOYSA-N
Mol Weight 321.82 g/mol
Molecular Formula C16H16ClNO2S
Exact Mass 321.059028 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HQ1mDB9mJWS
Name 2-(4-chlorobenzyl)sulfonyl-3,4-dihydro-1H-isoquinoline
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H16ClNO2S
InChI InChI=1S/C16H16ClNO2S/c17-16-7-5-13(6-8-16)12-21(19,20)18-10-9-14-3-1-2-4-15(14)11-18/h1-8H,9-12H2
InChIKey QBNGXPVQBUBVMA-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 321.822 g/mol
Solvent CDCl3
Source File Reference UWLU36526