| SpectraBase Compound ID | 4LebE2OEM6I |
|---|---|
| InChI | InChI=1S/C17H14FNO6/c18-14-7-1-2-8-15(14)25-17(21)10-4-9-16(20)24-13-6-3-5-12(11-13)19(22)23/h1-3,5-8,11H,4,9-10H2 |
| InChIKey | WRKMAQQLEIOZLE-UHFFFAOYSA-N |
| Mol Weight | 347.3 g/mol |
| Molecular Formula | C17H14FNO6 |
| Exact Mass | 347.080515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4KYf9A5AwXY |
|---|---|
| Name | Glutaric acid, 2-fluorophenyl 3-nitrophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.080515332 u |
| Formula | C17H14FNO6 |
| InChI | InChI=1S/C17H14FNO6/c18-14-7-1-2-8-15(14)25-17(21)10-4-9-16(20)24-13-6-3-5-12(11-13)19(22)23/h1-3,5-8,11H,4,9-10H2 |
| InChIKey | WRKMAQQLEIOZLE-UHFFFAOYSA-N |
| Molecular Weight | 347.298 g/mol |
| SMILES | C(CCC(OC1=CC=CC=C1F)=O)C(OC1=CC=CC(=C1)N(=O)=O)=O |