| SpectraBase Compound ID | 5Gr1Wv3qQm |
|---|---|
| InChI | InChI=1S/C15H15F7O2/c16-13(17,14(18,19)15(20,21)22)10-24-12(23)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2 |
| InChIKey | XIVZGHQWSRMEKS-UHFFFAOYSA-N |
| Mol Weight | 360.27 g/mol |
| Molecular Formula | C15H15F7O2 |
| Exact Mass | 360.096027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9Xxlj9LRxAY |
|---|---|
| Name | 5-Phenylpentanoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.096026862 u |
| Formula | C15H15F7O2 |
| InChI | InChI=1S/C15H15F7O2/c16-13(17,14(18,19)15(20,21)22)10-24-12(23)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10H2 |
| InChIKey | XIVZGHQWSRMEKS-UHFFFAOYSA-N |
| Molecular Weight | 360.272 g/mol |
| SMILES | C1=CC(=CC=C1)CCCCC(=O)OCC(C(C(F)(F)F)(F)F)(F)F |