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1-METHYL-1-[8-[4-(1-METHYLPYRROLIDINIUM-1-YL)-METHYL]-PHENOXY]-OCTYL)-PIPERIDINE-IODIDE
SpectraBase Compound ID 4r82MyHLnRd
InChI InChI=1S/C26H46N2O.2HI/c1-27(19-9-7-10-20-27)18-8-5-3-4-6-13-23-29-26-16-14-25(15-17-26)24-28(2)21-11-12-22-28;;/h14-17H,3-13,18-24H2,1-2H3;2*1H/q+2;;/p-2
InChIKey XYRJBNIEHUKDLT-UHFFFAOYSA-L
Mol Weight 656.47595 g/mol
Molecular Formula C26H46I2N2O
Exact Mass 656.169954 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 38WxBC2WmEK
Name 1-METHYL-1-[8-[4-(1-METHYLPYRROLIDINIUM-1-YL)-METHYL]-PHENOXY]-OCTYL)-PIPERIDINE-IODIDE
Compound Number 4E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H46I2N2O
InChI InChI=1S/C26H46N2O.2HI/c1-27(19-9-7-10-20-27)18-8-5-3-4-6-13-23-29-26-16-14-25(15-17-26)24-28(2)21-11-12-22-28;;/h14-17H,3-13,18-24H2,1-2H3;2*1H/q+2;;/p-2
InChIKey XYRJBNIEHUKDLT-UHFFFAOYSA-L
Literature Reference Author L.YU,R.CAO,W.YI,Q.YAN,Z.CHEN,L.MA,H.SONG
Literature Reference Citation CHEM.PHARM.BULL.,58,1216(2010)
Literature Reference DOI 10.1248/cpb.58.1216
Molecular Weight 656.473 g/mol
Source File Reference UWBT3778