| SpectraBase Compound ID | ItICFUrHC0g |
|---|---|
| InChI | InChI=1S/C16H17FO5/c1-4-11(2)21-15(18)6-5-7-16(19)22-13-9-8-12(17)10-14(13)20-3/h1,8-11H,5-7H2,2-3H3 |
| InChIKey | FPGOGMNITMZOJZ-UHFFFAOYSA-N |
| Mol Weight | 308.31 g/mol |
| Molecular Formula | C16H17FO5 |
| Exact Mass | 308.106002 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 | 7RpclzymrEZ |
|---|---|
| Name | Glutaric acid, but-3-yn-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 | 308.106001805 u |
| Formula | C16H17FO5 |
| InChI | InChI=1S/C16H17FO5/c1-4-11(2)21-15(18)6-5-7-16(19)22-13-9-8-12(17)10-14(13)20-3/h1,8-11H,5-7H2,2-3H3 |
| InChIKey | FPGOGMNITMZOJZ-UHFFFAOYSA-N |
| Molecular Weight | 308.305 g/mol |
| SMILES | C(CCC(OC(C#C)C)=O)C(OC1=C(OC)C=C(C=C1)F)=O |