| SpectraBase Compound ID | 9zo3IO3j726 |
|---|---|
| InChI | InChI=1S/C18H21FO2/c1-3-4-5-6-7-8-9-16(18(20)21-2)14-15-10-12-17(19)13-11-15/h10-14H,3-7H2,1-2H3/b16-14+ |
| InChIKey | BQTBNTYASBUHEC-JQIJEIRASA-N |
| Mol Weight | 288.36 g/mol |
| Molecular Formula | C18H21FO2 |
| Exact Mass | 288.152558 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 | 9wnjkVUjPkF |
|---|---|
| Name | (2E)-2-(4-Fluorobenzylidene)dec-3-ynoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.152558077 u |
| Formula | C18H21FO2 |
| InChI | InChI=1S/C18H21FO2/c1-3-4-5-6-7-8-9-16(18(20)21-2)14-15-10-12-17(19)13-11-15/h10-14H,3-7H2,1-2H3/b16-14+ |
| InChIKey | BQTBNTYASBUHEC-JQIJEIRASA-N |
| Molecular Weight | 288.362 g/mol |
| SMILES | C(\C(C(=O)OC)=C/C1=CC=C(C=C1)F)#CCCCCCC |