| SpectraBase Compound ID | FyA19io58c2 |
|---|---|
| InChI | InChI=1S/C18H14N2O3/c1-11(21)22-10-12-6-7-16(23-12)18-17-14(8-9-19-18)13-4-2-3-5-15(13)20-17/h2-9,20H,10H2,1H3 |
| InChIKey | UGLYTIIXGWMRIB-UHFFFAOYSA-N |
| Mol Weight | 306.32 g/mol |
| Molecular Formula | C18H14N2O3 |
| Exact Mass | 306.100442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D3vnVIwEx6s |
|---|---|
| Name | Acetylflazin, 2-dehydrocarbonyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.100442316 u |
| Formula | C18H14N2O3 |
| InChI | InChI=1S/C18H14N2O3/c1-11(21)22-10-12-6-7-16(23-12)18-17-14(8-9-19-18)13-4-2-3-5-15(13)20-17/h2-9,20H,10H2,1H3 |
| InChIKey | UGLYTIIXGWMRIB-UHFFFAOYSA-N |
| Molecular Weight | 306.321 g/mol |
| SMILES | C1(=NC=CC2=C1NC=1C2=CC=CC1)C=1OC(=CC1)COC(C)=O |