| SpectraBase Compound ID | AqKx4UwBKyZ |
|---|---|
| InChI | InChI=1S/C23H35FO4/c1-2-3-4-9-14-19-27-22(25)17-10-7-5-6-8-11-18-23(26)28-21-16-13-12-15-20(21)24/h12-13,15-16H,2-11,14,17-19H2,1H3 |
| InChIKey | KBVSVKLLDMXAIA-UHFFFAOYSA-N |
| Mol Weight | 394.5 g/mol |
| Molecular Formula | C23H35FO4 |
| Exact Mass | 394.251938 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 | AJA4kg6gLo7 |
|---|---|
| Name | Sebacic acid, 2-fluorophenyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.251937766 u |
| Formula | C23H35FO4 |
| InChI | InChI=1S/C23H35FO4/c1-2-3-4-9-14-19-27-22(25)17-10-7-5-6-8-11-18-23(26)28-21-16-13-12-15-20(21)24/h12-13,15-16H,2-11,14,17-19H2,1H3 |
| InChIKey | KBVSVKLLDMXAIA-UHFFFAOYSA-N |
| Molecular Weight | 394.527 g/mol |
| SMILES | C(CCCCC(OC1=CC=CC=C1F)=O)CCCC(OCCCCCCC)=O |