| SpectraBase Compound ID | IbGxaA7obVu |
|---|---|
| InChI | InChI=1S/C19H23F5O4/c1-2-3-7-10-27-13(25)8-5-4-6-9-14(26)28-11-12-15(20)17(22)19(24)18(23)16(12)21/h2-11H2,1H3 |
| InChIKey | VPGLLYQRAMHHCZ-UHFFFAOYSA-N |
| Mol Weight | 410.38 g/mol |
| Molecular Formula | C19H23F5O4 |
| Exact Mass | 410.15165 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FQxlqvsWtOh |
|---|---|
| Name | Pimelic acid, pentafluorobenzyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.151650032 u |
| Formula | C19H23F5O4 |
| InChI | InChI=1S/C19H23F5O4/c1-2-3-7-10-27-13(25)8-5-4-6-9-14(26)28-11-12-15(20)17(22)19(24)18(23)16(12)21/h2-11H2,1H3 |
| InChIKey | VPGLLYQRAMHHCZ-UHFFFAOYSA-N |
| Molecular Weight | 410.381 g/mol |
| SMILES | C(OCC1=C(C(=C(C(=C1F)F)F)F)F)(=O)CCCCCC(OCCCCC)=O |