| SpectraBase Compound ID | G5ErjCc6tTG |
|---|---|
| InChI | InChI=1S/C17H22N2O3/c1-3-5-11-22-14-8-6-13(7-9-14)19-16(20)12-15(17(19)21)18-10-4-2/h4,6-9,15,18H,2-3,5,10-12H2,1H3 |
| InChIKey | XEIABBVVEZJLGY-UHFFFAOYSA-N |
| Mol Weight | 302.37 g/mol |
| Molecular Formula | C17H22N2O3 |
| Exact Mass | 302.163043 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DPMNUrXKVZH |
|---|---|
| Name | 3-(Allylamino)-1-(4-butoxyphenyl)-2,5-pyrrolidinedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 302.163042573 u |
| Formula | C17H22N2O3 |
| InChI | InChI=1S/C17H22N2O3/c1-3-5-11-22-14-8-6-13(7-9-14)19-16(20)12-15(17(19)21)18-10-4-2/h4,6-9,15,18H,2-3,5,10-12H2,1H3 |
| InChIKey | XEIABBVVEZJLGY-UHFFFAOYSA-N |
| Molecular Weight | 302.374 g/mol |
| SMILES | N(C1C(N(C(C1)=O)C=1C=CC(=CC1)OCCCC)=O)CC=C |