| SpectraBase Compound ID | 4q9r1N4I1xF |
|---|---|
| InChI | InChI=1S/C14H11IN2O2/c1-10(11-5-4-8-16-9-11)17-19-14(18)12-6-2-3-7-13(12)15/h2-9H,1H3/b17-10+ |
| InChIKey | LOWJTPZTGFQOAQ-LICLKQGHSA-N |
| Mol Weight | 366.16 g/mol |
| Molecular Formula | C14H11IN2O2 |
| Exact Mass | 365.986523 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KwObuL1tDV3 |
|---|---|
| Name | (1E)-1-(3-Pyridinyl)ethanone o-(2-iodobenzoyl)oxime |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 365.986522600 u |
| Formula | C14H11IN2O2 |
| InChI | InChI=1S/C14H11IN2O2/c1-10(11-5-4-8-16-9-11)17-19-14(18)12-6-2-3-7-13(12)15/h2-9H,1H3/b17-10+ |
| InChIKey | LOWJTPZTGFQOAQ-LICLKQGHSA-N |
| Molecular Weight | 366.158 g/mol |
| SMILES | C1(C(O\N=C\(C=2C=NC=CC2)C)=O)=C(I)C=CC=C1 |