| SpectraBase Compound ID | AeMoabUNRqc |
|---|---|
| InChI | InChI=1S/C14H15F5O2/c1-4-5-6-14(2,3)21-13(20)7-8(15)10(17)12(19)11(18)9(7)16/h4-6H2,1-3H3 |
| InChIKey | AYSWWCJTMSCYAS-UHFFFAOYSA-N |
| Mol Weight | 310.26 g/mol |
| Molecular Formula | C14H15F5O2 |
| Exact Mass | 310.099221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Hy0FCNg2Fl |
|---|---|
| Name | 2-Methylhexan-2-yl 2,3,4,5,6-pentafluorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.099220536 u |
| Formula | C14H15F5O2 |
| InChI | InChI=1S/C14H15F5O2/c1-4-5-6-14(2,3)21-13(20)7-8(15)10(17)12(19)11(18)9(7)16/h4-6H2,1-3H3 |
| InChIKey | AYSWWCJTMSCYAS-UHFFFAOYSA-N |
| Molecular Weight | 310.264 g/mol |
| SMILES | CCCCC(OC(C1=C(C(=C(C(=C1F)F)F)F)F)=O)(C)C |