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3-[1-(4-chlorobenzyl)-3-methyl-indol-2-yl]-2,2-dimethyl-propionic acid
SpectraBase Compound ID 2zzrs9BIkIT
InChI InChI=1S/C21H22ClNO2/c1-14-17-6-4-5-7-18(17)23(13-15-8-10-16(22)11-9-15)19(14)12-21(2,3)20(24)25/h4-11H,12-13H2,1-3H3,(H,24,25)
InChIKey LKVQGUGNUBMCCE-UHFFFAOYSA-N
Mol Weight 355.87 g/mol
Molecular Formula C21H22ClNO2
Exact Mass 355.133907 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kcsn1D1I837
Name 3-[1-(4-chlorobenzyl)-3-methyl-indol-2-yl]-2,2-dimethyl-propionic acid
CAS Registry Number 125687-06-1
Compound Number 3A
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Formula C21H22ClNO2
InChI InChI=1S/C21H22ClNO2/c1-14-17-6-4-5-7-18(17)23(13-15-8-10-16(22)11-9-15)19(14)12-21(2,3)20(24)25/h4-11H,12-13H2,1-3H3,(H,24,25)
InChIKey LKVQGUGNUBMCCE-UHFFFAOYSA-N
Literature Reference Author R.S.E.CONN,A.W.DOUGLAS,S.KARADY,E.G.CORLEY,A.V.LOVELL,I.SHIN KAI
Literature Reference Citation J.ORG.CHEM.,55,2908(1990)
Literature Reference DOI 10.1021/jo00296a063
Molecular Weight 355.864 g/mol
Solvent CD3OD
Source File Reference UWED10569