| SpectraBase Compound ID | Cu6cX34Ucak |
|---|---|
| InChI | InChI=1S/C16H17F5O2/c1-2-3-4-5-6-7-8-9-23-16(22)10-11(17)13(19)15(21)14(20)12(10)18/h6-7H,2-5,8-9H2,1H3/b7-6- |
| InChIKey | NVRREISCYJROIC-SREVYHEPSA-N |
| Mol Weight | 336.3 g/mol |
| Molecular Formula | C16H17F5O2 |
| Exact Mass | 336.114871 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8GZ8Szta0aQ |
|---|---|
| Name | (Z)-non-3-en-1-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 | 336.114870600 u |
| Formula | C16H17F5O2 |
| InChI | InChI=1S/C16H17F5O2/c1-2-3-4-5-6-7-8-9-23-16(22)10-11(17)13(19)15(21)14(20)12(10)18/h6-7H,2-5,8-9H2,1H3/b7-6- |
| InChIKey | NVRREISCYJROIC-SREVYHEPSA-N |
| Molecular Weight | 336.302 g/mol |
| SMILES | C(\C=C/CCOC(C1=C(C(=C(F)C(=C1F)F)F)F)=O)CCCC |