| SpectraBase Compound ID | 4uNQqYuW7JR |
|---|---|
| InChI | InChI=1S/C31H43N2O4.HI/c1-6-16-33-17-10-11-23(20-33)28-26(29(34)37-27-18-22(4)14-15-25(27)21(2)3)19-31(32-28,30(35)36-5)24-12-8-7-9-13-24;/h7-13,17,20-22,25-28,32H,6,14-16,18-19H2,1-5H3;1H/q+1;/p-1/t22-,25+,26+,27-,28+,31-;/m1./s1 |
| InChIKey | IIUZGTVZBISKJQ-HFKXGFLASA-M |
| Mol Weight | 634.6 g/mol |
| Molecular Formula | C31H43IN2O4 |
| Exact Mass | 634.226753 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DPFFw9y3TMF |
|---|---|
| Name | (1'R,2'S,5'R)-Menthyl r-2R-methoxycarbonyl-2-phenyl-c-5R-(1'-propylpyridinium-3'-yl)pyrrolidine-c-4S-carboxylate iodide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H43IN2O4 |
| InChI | InChI=1S/C31H43N2O4.HI/c1-6-16-33-17-10-11-23(20-33)28-26(29(34)37-27-18-22(4)14-15-25(27)21(2)3)19-31(32-28,30(35)36-5)24-12-8-7-9-13-24;/h7-13,17,20-22,25-28,32H,6,14-16,18-19H2,1-5H3;1H/q+1;/p-1/t22-,25+,26+,27-,28+,31-;/m1./s1 |
| InChIKey | IIUZGTVZBISKJQ-HFKXGFLASA-M |
| Molecular Weight | 634.599 g/mol |
| SMILES | [I-].N1[C@]([C@](C[C@]1(C(=O)OC)c1ccccc1)(C(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])=O)[H])(c1c[n+](CCC)ccc1)[H] |
| SPLASH | splash10-066r-0040920000-3360efc1f26b7b5f7522 |
| Source of Spectrum | F-51-287-17 |
| Wiley ID | 790395 |