| SpectraBase Compound ID | K671QP2xp5R |
|---|---|
| InChI | InChI=1S/C22H33FO4/c1-3-4-17-26-21(24)11-9-7-5-6-8-10-12-22(25)27-18(2)19-13-15-20(23)16-14-19/h13-16,18H,3-12,17H2,1-2H3 |
| InChIKey | RIJJHMBOGHGNPM-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 | 65QVLVmh6Fi |
|---|---|
| Name | Sebacic acid, butyl 1-(4-fluorophenyl)ethyl 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/c1-3-4-17-26-21(24)11-9-7-5-6-8-10-12-22(25)27-18(2)19-13-15-20(23)16-14-19/h13-16,18H,3-12,17H2,1-2H3 |
| InChIKey | RIJJHMBOGHGNPM-UHFFFAOYSA-N |
| Molecular Weight | 380.500 g/mol |
| SMILES | C(CCCCCCC(OCCCC)=O)CC(OC(C=1C=CC(=CC1)F)C)=O |