| SpectraBase Compound ID | QSf0FNkzZ2 |
|---|---|
| InChI | InChI=1S/C22H33FO4/c1-2-3-4-11-17-26-21(24)15-9-7-5-6-8-10-16-22(25)27-20-14-12-13-19(23)18-20/h12-14,18H,2-11,15-17H2,1H3 |
| InChIKey | FVYKUIFHBYSLDR-UHFFFAOYSA-N |
| Mol Weight | 380.5 g/mol |
| Molecular Formula | C22H33FO4 |
| Exact Mass | 380.236288 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6pJV7CErD7o |
|---|---|
| Name | Sebacic acid, 3-fluorophenyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.236287702 u |
| Formula | C22H33FO4 |
| InChI | InChI=1S/C22H33FO4/c1-2-3-4-11-17-26-21(24)15-9-7-5-6-8-10-16-22(25)27-20-14-12-13-19(23)18-20/h12-14,18H,2-11,15-17H2,1H3 |
| InChIKey | FVYKUIFHBYSLDR-UHFFFAOYSA-N |
| Molecular Weight | 380.500 g/mol |
| SMILES | C(C(OC1=CC(=CC=C1)F)=O)CCCCCCCC(OCCCCCC)=O |