| SpectraBase Compound ID | 7TeFy5ox9EH |
|---|---|
| InChI | InChI=1S/C15H20FNO4/c1-3-4-5-6-7-11(2)21-15(18)12-8-9-13(16)14(10-12)17(19)20/h8-11H,3-7H2,1-2H3 |
| InChIKey | MAOXXSURRYEDFO-UHFFFAOYSA-N |
| Mol Weight | 297.33 g/mol |
| Molecular Formula | C15H20FNO4 |
| Exact Mass | 297.137636 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LqyH4kI8WkN |
|---|---|
| Name | Benzoic acid, 4-fluoro-3-nitro-, 1-methylheptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 297.137636287 u |
| Formula | C15H20FNO4 |
| InChI | InChI=1S/C15H20FNO4/c1-3-4-5-6-7-11(2)21-15(18)12-8-9-13(16)14(10-12)17(19)20/h8-11H,3-7H2,1-2H3 |
| InChIKey | MAOXXSURRYEDFO-UHFFFAOYSA-N |
| Molecular Weight | 297.326 g/mol |
| SMILES | CCCCCCC(C)OC(=O)C1=CC=C(C(=C1)N(=O)=O)F |