| SpectraBase Compound ID | 99uFIUqM5a3 |
|---|---|
| InChI | InChI=1S/C18H25FO4/c1-3-8-14(9-4-2)22-17(20)12-7-13-18(21)23-16-11-6-5-10-15(16)19/h5-6,10-11,14H,3-4,7-9,12-13H2,1-2H3 |
| InChIKey | SBVJUOTYWUGLMW-UHFFFAOYSA-N |
| Mol Weight | 324.39 g/mol |
| Molecular Formula | C18H25FO4 |
| Exact Mass | 324.173687 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 679Zj3VqvCS |
|---|---|
| Name | Glutaric acid, 2-fluorophenyl hept-4-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.173687444 u |
| Formula | C18H25FO4 |
| InChI | InChI=1S/C18H25FO4/c1-3-8-14(9-4-2)22-17(20)12-7-13-18(21)23-16-11-6-5-10-15(16)19/h5-6,10-11,14H,3-4,7-9,12-13H2,1-2H3 |
| InChIKey | SBVJUOTYWUGLMW-UHFFFAOYSA-N |
| Molecular Weight | 324.392 g/mol |
| SMILES | C(CCC(OC(CCC)CCC)=O)C(OC1=CC=CC=C1F)=O |