| SpectraBase Compound ID | Jv6hyK7rwWS |
|---|---|
| InChI | InChI=1S/C14H17ClN2O3/c15-10-3-5-11(6-4-10)17-13(19)9-12(14(17)20)16-7-1-2-8-18/h3-6,12,16,18H,1-2,7-9H2 |
| InChIKey | QPFMANWYZAYJAI-UHFFFAOYSA-N |
| Mol Weight | 296.75 g/mol |
| Molecular Formula | C14H17ClN2O3 |
| Exact Mass | 296.09277 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 10ohTflcuqK |
|---|---|
| Name | 1-(4-Chlorophenyl)-3-(4-hydroxybutylamino)pyrrolidine-2,5-quinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.092770112 u |
| Formula | C14H17ClN2O3 |
| InChI | InChI=1S/C14H17ClN2O3/c15-10-3-5-11(6-4-10)17-13(19)9-12(14(17)20)16-7-1-2-8-18/h3-6,12,16,18H,1-2,7-9H2 |
| InChIKey | QPFMANWYZAYJAI-UHFFFAOYSA-N |
| SMILES | C(CO)CCNC1C(N(C(C1)=O)C=1C=CC(=CC1)Cl)=O |