| SpectraBase Compound ID | 1jQURORNFPv |
|---|---|
| InChI | InChI=1S/C16H17N3O2/c1-18-15(20)8-14(16(18)21)19-7-6-11-10-4-2-3-5-12(10)17-13(11)9-19/h2-5,14,17H,6-9H2,1H3 |
| InChIKey | DOJKHRZYMYCTBG-UHFFFAOYSA-N |
| Mol Weight | 283.33 g/mol |
| Molecular Formula | C16H17N3O2 |
| Exact Mass | 283.132077 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KvRMLouZwAl |
|---|---|
| Name | 1-Methyl-3-(1,3,4,9-tetrahydro-$B-carbolin-2-yl)pyrrolidine-2,5-quinone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.132076797 u |
| Formula | C16H17N3O2 |
| InChI | InChI=1S/C16H17N3O2/c1-18-15(20)8-14(16(18)21)19-7-6-11-10-4-2-3-5-12(10)17-13(11)9-19/h2-5,14,17H,6-9H2,1H3 |
| InChIKey | DOJKHRZYMYCTBG-UHFFFAOYSA-N |
| SMILES | C1(N(C(CC1N1CC=2NC=3C=CC=CC3C2CC1)=O)C)=O |