| SpectraBase Compound ID | 5MWTYgPsLmN |
|---|---|
| InChI | InChI=1S/C21H19NO6/c1-22(2)6-5-12-7-17-18(26-10-25-17)9-13(12)8-16-14-3-4-15-20(27-11-24-15)19(14)21(23)28-16/h3-4,7-9H,5-6,10-11H2,1-2H3/b16-8- |
| InChIKey | XTKRQNDALPUYMD-PXNMLYILSA-N |
| Mol Weight | 381.38 g/mol |
| Molecular Formula | C21H19NO6 |
| Exact Mass | 381.121237 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CY4GUlimMGF |
|---|---|
| Name | Aobamidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 381.121237330 u |
| Formula | C21H19NO6 |
| InChI | InChI=1S/C21H19NO6/c1-22(2)6-5-12-7-17-18(26-10-25-17)9-13(12)8-16-14-3-4-15-20(27-11-24-15)19(14)21(23)28-16/h3-4,7-9H,5-6,10-11H2,1-2H3/b16-8- |
| InChIKey | XTKRQNDALPUYMD-PXNMLYILSA-N |
| Molecular Weight | 381.384 g/mol |
| SMILES | C1=2C(O\C(C2C=CC2=C1OCO2)=C\C=1C(=CC2=C(C1)OCO2)CCN(C)C)=O |