| 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)
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| SpectraBase Spectrum ID | H4w0jrM6eYQ |
|---|---|
| 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-].Oc1c(ccc2CC[N+]([C@@](c12)(Cc1ccc(cc1)OC)[H])(C)C)OC |
| SPLASH | splash10-0006-2900000000-4a59d527aaf9255a4883 |
| Source of Spectrum | JX-2015-6-10927 |
| 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 | 1730839 |