| SpectraBase Compound ID | Cmmhg9c5XPw |
|---|---|
| InChI | InChI=1S/C22H25FO4/c1-2-3-4-5-6-9-15-26-21(24)19-13-7-8-14-20(19)22(25)27-18-12-10-11-17(23)16-18/h7-8,10-14,16H,2-6,9,15H2,1H3 |
| InChIKey | JTQALIZHZNJNLZ-UHFFFAOYSA-N |
| Mol Weight | 372.44 g/mol |
| Molecular Formula | C22H25FO4 |
| Exact Mass | 372.173687 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 241sXG6Yjun |
|---|---|
| Name | Phthalic acid, 3-fluorophenyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.173687444 u |
| Formula | C22H25FO4 |
| InChI | InChI=1S/C22H25FO4/c1-2-3-4-5-6-9-15-26-21(24)19-13-7-8-14-20(19)22(25)27-18-12-10-11-17(23)16-18/h7-8,10-14,16H,2-6,9,15H2,1H3 |
| InChIKey | JTQALIZHZNJNLZ-UHFFFAOYSA-N |
| Molecular Weight | 372.436 g/mol |
| SMILES | C1(=CC=CC=C1C(OCCCCCCCC)=O)C(OC1=CC(=CC=C1)F)=O |