| SpectraBase Compound ID | IIaRJmgznCB |
|---|---|
| InChI | InChI=1S/C18H25FO4/c1-2-3-4-13-22-17(20)6-5-7-18(21)23-14-12-15-8-10-16(19)11-9-15/h8-11H,2-7,12-14H2,1H3 |
| InChIKey | BXNRFIXHOZSOPW-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 | BksZrsdFCcz |
|---|---|
| Name | Glutaric acid, 2-(4-fluorophenyl)ethyl pentyl 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/c1-2-3-4-13-22-17(20)6-5-7-18(21)23-14-12-15-8-10-16(19)11-9-15/h8-11H,2-7,12-14H2,1H3 |
| InChIKey | BXNRFIXHOZSOPW-UHFFFAOYSA-N |
| Molecular Weight | 324.392 g/mol |
| SMILES | C(OCCC1=CC=C(C=C1)F)(=O)CCCC(OCCCCC)=O |