| SpectraBase Compound ID | 8L5zj2r9uvv |
|---|---|
| InChI | InChI=1S/C17H23FO5/c1-11(2)12(3)22-16(19)6-5-7-17(20)23-14-9-8-13(18)10-15(14)21-4/h8-12H,5-7H2,1-4H3 |
| InChIKey | OENMUHAQEFBWMM-UHFFFAOYSA-N |
| Mol Weight | 326.36 g/mol |
| Molecular Formula | C17H23FO5 |
| Exact Mass | 326.152952 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DobZ6cfRPOD |
|---|---|
| Name | Glutaric acid, 3-methylbut-2-yl 4-fluoro-2-methoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.152951999 u |
| Formula | C17H23FO5 |
| InChI | InChI=1S/C17H23FO5/c1-11(2)12(3)22-16(19)6-5-7-17(20)23-14-9-8-13(18)10-15(14)21-4/h8-12H,5-7H2,1-4H3 |
| InChIKey | OENMUHAQEFBWMM-UHFFFAOYSA-N |
| Molecular Weight | 326.364 g/mol |
| SMILES | C(CCC(OC(C(C)C)C)=O)C(OC1=C(OC)C=C(C=C1)F)=O |