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Petaline - iodide
SpectraBase Compound ID Fx3InLZnhly
InChI InChI=1S/C20H25NO3.HI/c1-21(2)12-11-15-7-10-18(24-4)20(22)19(15)17(21)13-14-5-8-16(23-3)9-6-14;/h5-10,17H,11-13H2,1-4H3;1H/t17-;/m1./s1
InChIKey ZDQYKSVXZICLTB-UNTBIKODSA-N
Mol Weight 455.34 g/mol
Molecular Formula C20H26INO3
Exact Mass 455.095739 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 94fLZsBiWxs
Name Petaline - iodide
CAS Registry Number 6392-36-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26INO3
InChI InChI=1S/C20H25NO3.HI/c1-21(2)12-11-15-7-10-18(24-4)20(22)19(15)17(21)13-14-5-8-16(23-3)9-6-14;/h5-10,17H,11-13H2,1-4H3;1H/t17-;/m1./s1
InChIKey ZDQYKSVXZICLTB-UNTBIKODSA-N
Molecular Weight 455.336 g/mol
SMILES [I-].Oc1c2[C@]([N+](CCc2ccc1OC)(C)C)(Cc1ccc(OC)cc1)[H]
SPLASH splash10-002f-2902000000-e6a49d987299b967b1f1
Source of Spectrum X2-46-348-14
Synonyms Petaline, iodide (1R)-8-hydroxy-7-methoxy-1-(4-methoxybenzyl)-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolinium iodide (R)-(-)-1-(4-methoxybenzyl)-1,2,3,4-tetrahydro-8-hydroxy-7-methoxy-2,2-dimethylisoquinolinium iodide (R)-(-)-1-(4-methoxybenzyl)-1,2,3,4-tetrahydro-8-hydroxy-7-methoxy- -2,2 -dimethylisoquinolinium iodide (R)-8-hydroxy-7-methoxy-1-(4-methoxybenzyl)-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium iodide
Wiley ID 1601147