| SpectraBase Compound ID | HoCxqXuPuDh |
|---|---|
| InChI | InChI=1S/C18H17FO4/c1-13-7-2-4-9-15(13)22-17(20)11-6-12-18(21)23-16-10-5-3-8-14(16)19/h2-5,7-10H,6,11-12H2,1H3 |
| InChIKey | ONBHQPAGWOBECO-UHFFFAOYSA-N |
| Mol Weight | 316.33 g/mol |
| Molecular Formula | C18H17FO4 |
| Exact Mass | 316.111087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | tXMw32JJZC |
|---|---|
| Name | Glutaric acid, 2-fluorophenyl 2-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.111087186 u |
| Formula | C18H17FO4 |
| InChI | InChI=1S/C18H17FO4/c1-13-7-2-4-9-15(13)22-17(20)11-6-12-18(21)23-16-10-5-3-8-14(16)19/h2-5,7-10H,6,11-12H2,1H3 |
| InChIKey | ONBHQPAGWOBECO-UHFFFAOYSA-N |
| Molecular Weight | 316.328 g/mol |
| SMILES | C(CCC(OC1=CC=CC=C1F)=O)C(OC=1C(C)=CC=CC1)=O |