| SpectraBase Compound ID | IBMvndf8W2m |
|---|---|
| InChI | InChI=1S/C18H11IN2O/c19-15-7-3-1-6-14(15)18(22)21-16-8-4-2-5-12(16)13-9-10-20-11-17(13)21/h1-11H |
| InChIKey | HLARRVFLVKYSJQ-UHFFFAOYSA-N |
| Mol Weight | 398.2 g/mol |
| Molecular Formula | C18H11IN2O |
| Exact Mass | 397.991608 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CkSIk4h2Ain |
|---|---|
| Name | 9-(2-Iodobenzoyl)-.beta.-carboline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 397.991607981 u |
| Formula | C18H11IN2O |
| InChI | InChI=1S/C18H11IN2O/c19-15-7-3-1-6-14(15)18(22)21-16-8-4-2-5-12(16)13-9-10-20-11-17(13)21/h1-11H |
| InChIKey | HLARRVFLVKYSJQ-UHFFFAOYSA-N |
| Molecular Weight | 398.203 g/mol |
| SMILES | C1=NC=CC=2C=3C=CC=CC3N(C12)C(C=1C(=CC=CC1)I)=O |