![2-[2-(Methylimino)-2-phenylethylidene]pyrrolidine methanesulfonate](/api/spectrum/8KkRVklKv2R/structure.png?h=300&w=458 "2-[2-(Methylimino)-2-phenylethylidene]pyrrolidine methanesulfonate")
| SpectraBase Compound ID | BkavTnLHaTu |
|---|---|
| InChI | InChI=1S/C13H16N2.CH4O3S/c1-14-13(10-12-8-5-9-15-12)11-6-3-2-4-7-11;1-5(2,3)4/h2-4,6-7,10,15H,5,8-9H2,1H3;1H3,(H,2,3,4)/b12-10-,14-13+; |
| InChIKey | NLRKSQDIIUZRBB-ULEPBKFQSA-N |
| Mol Weight | 296.38 g/mol |
| Molecular Formula | C14H20N2O3S |
| Exact Mass | 296.119464 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8KkRVklKv2R |
|---|---|
| Name | 2-[2-(Methylimino)-2-phenylethylidene]pyrrolidine methanesulfonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.119463683 u |
| Formula | C14H20N2O3S |
| InChI | InChI=1S/C13H16N2.CH4O3S/c1-14-13(10-12-8-5-9-15-12)11-6-3-2-4-7-11;1-5(2,3)4/h2-4,6-7,10,15H,5,8-9H2,1H3;1H3,(H,2,3,4)/b12-10-,14-13+; |
| InChIKey | NLRKSQDIIUZRBB-ULEPBKFQSA-N |
| Molecular Weight | 296.385 g/mol |
| SMILES | C\N=C/(\C=C\1NCCC1)C1=CC=CC=C1.CS(=O)(=O)O |