| SpectraBase Spectrum ID |
CTQ7zcmVpov |
| Name |
Dimethyl 2-phenyl-c-5-(1'-propylpyridinium-3'-yl)pyrrolidine-r-2,c-4-dicarboxylate iodide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H27IN2O4 |
| InChI |
InChI=1S/C22H27N2O4.HI/c1-4-12-24-13-8-9-16(15-24)19-18(20(25)27-2)14-22(23-19,21(26)28-3)17-10-6-5-7-11-17;/h5-11,13,15,18-19,23H,4,12,14H2,1-3H3;1H/q+1;/p-1/t18-,19-,22+;/m0./s1 |
| InChIKey |
DMFAJMFERCDDCV-CEUWVHIRSA-M |
| Molecular Weight |
510.372 g/mol |
| SMILES |
[I-].N1[C@]([C@](C[C@]1(C(=O)OC)c1ccccc1)(C(=O)OC)[H])(c1c[n+](CCC)ccc1)[H] |
| SPLASH |
splash10-0006-0932000000-35b6d09c2ef399653ba7 |
| Source of Spectrum |
F-51-288-17 |
| Wiley ID |
790394 |
