| SpectraBase Compound ID | BdjM0VGoX6e |
|---|---|
| InChI | InChI=1S/C21H18N2O5/c1-3-26-21(25)17-10-15-14-6-4-5-7-16(14)22-19(15)20(23-17)18-9-8-13(28-18)11-27-12(2)24/h4-10,22H,3,11H2,1-2H3 |
| InChIKey | IOBDESQIMJKVFH-UHFFFAOYSA-N |
| Mol Weight | 378.38 g/mol |
| Molecular Formula | C21H18N2O5 |
| Exact Mass | 378.121572 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CbQilGdNPuz |
|---|---|
| Name | Acetylflazin, ethyl(ester) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.121571683 u |
| Formula | C21H18N2O5 |
| InChI | InChI=1S/C21H18N2O5/c1-3-26-21(25)17-10-15-14-6-4-5-7-16(14)22-19(15)20(23-17)18-9-8-13(28-18)11-27-12(2)24/h4-10,22H,3,11H2,1-2H3 |
| InChIKey | IOBDESQIMJKVFH-UHFFFAOYSA-N |
| Molecular Weight | 378.384 g/mol |
| SMILES | C1(=NC(=CC2=C1NC=1C2=CC=CC1)C(OCC)=O)C=1OC(=CC1)COC(C)=O |