| SpectraBase Compound ID | 3UqgSDEXZs1 |
|---|---|
| InChI | InChI=1S/C32H45N2O4.HI/c1-6-16-34-17-10-13-25(21-34)29-27(30(35)38-28-18-23(4)14-15-26(28)22(2)3)20-32(33-29,31(36)37-5)19-24-11-8-7-9-12-24;/h7-13,17,21-23,26-29,33H,6,14-16,18-20H2,1-5H3;1H/q+1;/p-1/t23-,26+,27+,28-,29+,32+;/m1./s1 |
| InChIKey | NYUWKWXXUORAGM-IFXATOKGSA-M |
| Mol Weight | 648.6 g/mol |
| Molecular Formula | C32H45IN2O4 |
| Exact Mass | 648.242403 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2zek9pruHpY |
|---|---|
| Name | (1'R,2'S,5'R)-Menthyl r-2R-methoxycarbonyl-2-benzyl-c-5R-(1'-propylpyridinium-3'-yl)pyrrolidine-c-4S-carboxylate iodide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C32H45IN2O4 |
| InChI | InChI=1S/C32H45N2O4.HI/c1-6-16-34-17-10-13-25(21-34)29-27(30(35)38-28-18-23(4)14-15-26(28)22(2)3)20-32(33-29,31(36)37-5)19-24-11-8-7-9-12-24;/h7-13,17,21-23,26-29,33H,6,14-16,18-20H2,1-5H3;1H/q+1;/p-1/t23-,26+,27+,28-,29+,32+;/m1./s1 |
| InChIKey | NYUWKWXXUORAGM-IFXATOKGSA-M |
| Molecular Weight | 648.626 g/mol |
| SMILES | [I-].N1[C@]([C@](C[C@]1(C(=O)OC)Cc1ccccc1)(C(O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])=O)[H])(c1c[n+](CCC)ccc1)[H] |
| SPLASH | splash10-0006-9900000000-1ee03739496b5d1e8cdb |
| Source of Spectrum | F-51-287-17 |
| Wiley ID | 790396 |