| SpectraBase Compound ID | 2WB1AZrKkh0 |
|---|---|
| InChI | InChI=1S/C22H25FO4/c1-2-3-4-5-10-15-26-21(24)18-12-7-8-13-19(18)22(25)27-16-17-11-6-9-14-20(17)23/h6-9,11-14H,2-5,10,15-16H2,1H3 |
| InChIKey | VMRDKGMHRSBUPG-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 | JItGiYMcXMx |
|---|---|
| Name | Phthalic acid, 2-fluorobenzyl heptyl 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/c1-2-3-4-5-10-15-26-21(24)18-12-7-8-13-19(18)22(25)27-16-17-11-6-9-14-20(17)23/h6-9,11-14H,2-5,10,15-16H2,1H3 |
| InChIKey | VMRDKGMHRSBUPG-UHFFFAOYSA-N |
| Molecular Weight | 372.436 g/mol |
| SMILES | C1=CC=CC(=C1C(OCCCCCCC)=O)C(OCC1=CC=CC=C1F)=O |