| SpectraBase Compound ID | 25KpOw7wZEH |
|---|---|
| InChI | InChI=1S/C18H18F2O2/c1-13(21)22-12-2-3-18(14-4-8-16(19)9-5-14)15-6-10-17(20)11-7-15/h4-11,18H,2-3,12H2,1H3 |
| InChIKey | GZINKBQELFLSAD-UHFFFAOYSA-N |
| Mol Weight | 304.34 g/mol |
| Molecular Formula | C18H18F2O2 |
| Exact Mass | 304.127486 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1bhg3MsO4MW |
|---|---|
| Name | Amperozide-m (deamino-ho-) ac @P931 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.127486144 u |
| Formula | C18H18F2O2 |
| InChI | InChI=1S/C18H18F2O2/c1-13(21)22-12-2-3-18(14-4-8-16(19)9-5-14)15-6-10-17(20)11-7-15/h4-11,18H,2-3,12H2,1H3 |
| InChIKey | GZINKBQELFLSAD-UHFFFAOYSA-N |
| Molecular Weight | 304.337 g/mol |
| SMILES | C(C1=CC=C(F)C=C1)(C1=CC=C(C=C1)F)CCCOC(C)=O |