| SpectraBase Compound ID | FJfcoJIXXdH |
|---|---|
| InChI | InChI=1S/C20H16N2O5/c1-11(23)26-10-12-7-8-17(27-12)19-18-14(9-16(22-19)20(24)25-2)13-5-3-4-6-15(13)21-18/h3-9,21H,10H2,1-2H3 |
| InChIKey | FLXGTQMVHSVFSR-UHFFFAOYSA-N |
| Mol Weight | 364.36 g/mol |
| Molecular Formula | C20H16N2O5 |
| Exact Mass | 364.105922 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AMRhbLoZAru |
|---|---|
| Name | Acetylflazin, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.105921618 u |
| Formula | C20H16N2O5 |
| InChI | InChI=1S/C20H16N2O5/c1-11(23)26-10-12-7-8-17(27-12)19-18-14(9-16(22-19)20(24)25-2)13-5-3-4-6-15(13)21-18/h3-9,21H,10H2,1-2H3 |
| InChIKey | FLXGTQMVHSVFSR-UHFFFAOYSA-N |
| Molecular Weight | 364.357 g/mol |
| SMILES | C1(=NC(=CC2=C1NC=1C2=CC=CC1)C(OC)=O)C=1OC(=CC1)COC(C)=O |