| SpectraBase Compound ID | 55HghWna9hA |
|---|---|
| InChI | InChI=1S/C14H13F7O2/c1-7(2)9-5-4-8(3)6-10(9)23-11(22)12(15,16)13(17,18)14(19,20)21/h4-7H,1-3H3 |
| InChIKey | USMXSBZCKAERGC-UHFFFAOYSA-N |
| Mol Weight | 346.24 g/mol |
| Molecular Formula | C14H13F7O2 |
| Exact Mass | 346.080377 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5wqHxN8sy4x |
|---|---|
| Name | 2-Isopropyl-5-methylphenyl 2,2,3,3,4,4,4-heptafluorobutanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.080376798 u |
| Formula | C14H13F7O2 |
| InChI | InChI=1S/C14H13F7O2/c1-7(2)9-5-4-8(3)6-10(9)23-11(22)12(15,16)13(17,18)14(19,20)21/h4-7H,1-3H3 |
| InChIKey | USMXSBZCKAERGC-UHFFFAOYSA-N |
| Molecular Weight | 346.245 g/mol |
| SMILES | C1(=CC=C(C(=C1)OC(C(F)(C(F)(C(F)(F)F)F)F)=O)C(C)C)C |