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spiro[1H-benz[de]isoquinoline-2(3H),1'-piperidium] p-toluenesulfonate
SpectraBase Compound ID 5IS1SwmdHds
InChI InChI=1S/C17H20N.C7H8O3S/c1-2-10-18(11-3-1)12-15-8-4-6-14-7-5-9-16(13-18)17(14)15;1-6-2-4-7(5-3-6)11(8,9)10/h4-9H,1-3,10-13H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey KTZODGBNTRRTMR-UHFFFAOYSA-M
Mol Weight 409.54 g/mol
Molecular Formula C24H27NO3S
Exact Mass 409.171165 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6E1fXzPkywK
Name spiro[1H-benz[de]isoquinoline-2(3H),1'-piperidium] p-toluenesulfonate
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Formula C24H27NO3S
InChI InChI=1S/C17H20N.C7H8O3S/c1-2-10-18(11-3-1)12-15-8-4-6-14-7-5-9-16(13-18)17(14)15;1-6-2-4-7(5-3-6)11(8,9)10/h4-9H,1-3,10-13H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChIKey KTZODGBNTRRTMR-UHFFFAOYSA-M
Instrument Name Varian CFT-20
Sadtler NMR Number 29825M
Solvent CDCl3