| SpectraBase Compound ID | 7RbcCLwE6ws |
|---|---|
| InChI | InChI=1S/C15H15F5O4/c1-8(21)23-7-5-3-2-4-6-9(22)24-15-13(19)11(17)10(16)12(18)14(15)20/h2-7H2,1H3 |
| InChIKey | YNNUWIPEEMQSNB-UHFFFAOYSA-N |
| Mol Weight | 354.27 g/mol |
| Molecular Formula | C15H15F5O4 |
| Exact Mass | 354.08905 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1benuMBcDCW |
|---|---|
| Name | Pentafluorophenyl 7-(acetoxy)heptanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.089049774 u |
| Formula | C15H15F5O4 |
| InChI | InChI=1S/C15H15F5O4/c1-8(21)23-7-5-3-2-4-6-9(22)24-15-13(19)11(17)10(16)12(18)14(15)20/h2-7H2,1H3 |
| InChIKey | YNNUWIPEEMQSNB-UHFFFAOYSA-N |
| Molecular Weight | 354.273 g/mol |
| SMILES | C(C(OC1=C(F)C(F)=C(F)C(F)=C1F)=O)CCCCCOC(C)=O |