| SpectraBase Compound ID | H8rhfC2tnVN |
|---|---|
| InChI | InChI=1S/C19H25FO2/c1-2-3-4-5-6-7-8-9-10-11-15-22-19(21)17-13-12-14-18(20)16-17/h12-14,16H,2,5-11,15H2,1H3 |
| InChIKey | ANEBVLLGTIEXHN-UHFFFAOYSA-N |
| Mol Weight | 304.41 g/mol |
| Molecular Formula | C19H25FO2 |
| Exact Mass | 304.183858 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LQvs9vhn2c1 |
|---|---|
| Name | 3-Fluorobenzoic acid, dodec-9-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.183858206 u |
| Formula | C19H25FO2 |
| InChI | InChI=1S/C19H25FO2/c1-2-3-4-5-6-7-8-9-10-11-15-22-19(21)17-13-12-14-18(20)16-17/h12-14,16H,2,5-11,15H2,1H3 |
| InChIKey | ANEBVLLGTIEXHN-UHFFFAOYSA-N |
| Molecular Weight | 304.405 g/mol |
| SMILES | C(CCCC#CCC)CCCCOC(C1=CC=CC(=C1)F)=O |