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{4,5-dimethoxy-2-[3-(3,4-dimethoxphenyl)propenyl]phenethyl}trimethylammonium iodide, hemihydrate

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{4,5-dimethoxy-2-[3-(3,4-dimethoxphenyl)propenyl]phenethyl}trimethylammonium iodide, hemihydrate
SpectraBase Compound ID 8XOoWqLRl4l
InChI InChI=1S/2C24H34NO4.2HI.H2O/c2*1-25(2,3)14-13-20-17-24(29-7)23(28-6)16-19(20)10-8-9-18-11-12-21(26-4)22(15-18)27-5;;;/h2*8,10-12,15-17H,9,13-14H2,1-7H3;2*1H;1H2/q2*+1;;;/p-2
InChIKey AQFVSZHJZUVCNL-UHFFFAOYSA-L
Mol Weight 536.451 g/mol
Molecular Formula C24H34INO4·½H2O
Exact Mass 536.158536 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 43lWUeN53fA
Name {4,5-dimethoxy-2-[3-(3,4-dimethoxphenyl)propenyl]phenethyl}trimethylammonium iodide, hemihydrate
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36INO5
InChI InChI=1S/2C24H34NO4.2HI.H2O/c2*1-25(2,3)14-13-20-17-24(29-7)23(28-6)16-19(20)10-8-9-18-11-12-21(26-4)22(15-18)27-5;;;/h2*8,10-12,15-17H,9,13-14H2,1-7H3;2*1H;1H2/q2*+1;;;/p-2
InChIKey AQFVSZHJZUVCNL-UHFFFAOYSA-L
Instrument Name Varian CFT-20
Sadtler NMR Number 31813M
Solvent Polysol