| SpectraBase Compound ID | 1Rgo2OE8nq7 |
|---|---|
| InChI | InChI=1S/C13H17F5O2/c1-9(2)5-4-6-10(3)7-8-20-11(19)12(14,15)13(16,17)18/h5,7H,4,6,8H2,1-3H3/b10-7- |
| InChIKey | DLUDNCVSBOUXAS-YFHOEESVSA-N |
| Mol Weight | 300.27 g/mol |
| Molecular Formula | C13H17F5O2 |
| Exact Mass | 300.114871 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D2qlZMCklDo |
|---|---|
| Name | Nerol, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.114870600 u |
| Formula | C13H17F5O2 |
| InChI | InChI=1S/C13H17F5O2/c1-9(2)5-4-6-10(3)7-8-20-11(19)12(14,15)13(16,17)18/h5,7H,4,6,8H2,1-3H3/b10-7- |
| InChIKey | DLUDNCVSBOUXAS-YFHOEESVSA-N |
| Molecular Weight | 300.269 g/mol |
| SMILES | C(=CCC\C(=C/COC(C(C(F)(F)F)(F)F)=O)C)(C)C |