| SpectraBase Compound ID | CqrlIaZBRmf |
|---|---|
| InChI | InChI=1S/C18H17F8N3O4/c19-12-7-10(1-2-13(12)28-3-5-32-6-4-28)29-9-11(33-15(29)31)8-27-14(30)16(20,21)17(22,23)18(24,25)26/h1-2,7,11H,3-6,8-9H2,(H,27,30) |
| InChIKey | FKXSYPKZSKOVMY-UHFFFAOYSA-N |
| Mol Weight | 491.34 g/mol |
| Molecular Formula | C18H17F8N3O4 |
| Exact Mass | 491.109131 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4BgN4rSW67p |
|---|---|
| Name | Linezolide artifact (deacetyl-) hfb P1649 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 491.109131339 u |
| Formula | C18H17F8N3O4 |
| InChI | InChI=1S/C18H17F8N3O4/c19-12-7-10(1-2-13(12)28-3-5-32-6-4-28)29-9-11(33-15(29)31)8-27-14(30)16(20,21)17(22,23)18(24,25)26/h1-2,7,11H,3-6,8-9H2,(H,27,30) |
| InChIKey | FKXSYPKZSKOVMY-UHFFFAOYSA-N |
| Molecular Weight | 491.338 g/mol |
| SMILES | C1(OC(N(C1)C1=CC=C(C(F)=C1)N1CCOCC1)=O)CNC(C(F)(F)C(F)(F)C(F)(F)F)=O |