| SpectraBase Compound ID | B8mDCRFyisa |
|---|---|
| InChI | InChI=1S/C17H4F10O/c18-8-6(9(19)13(23)16(26)12(8)22)3-1-5(28)2-4-7-10(20)14(24)17(27)15(25)11(7)21/h1-4H/b3-1+,4-2+ |
| InChIKey | JBSHCVPSXHZNOJ-ZPUQHVIOSA-N |
| Mol Weight | 414.2 g/mol |
| Molecular Formula | C17H4F10O |
| Exact Mass | 414.010246 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KcWXD6hrwMU |
|---|---|
| Name | 1,3-bis(Pentafluorobenzal)acetone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 414.010246378 u |
| Formula | C17H4F10O |
| InChI | InChI=1S/C17H4F10O/c18-8-6(9(19)13(23)16(26)12(8)22)3-1-5(28)2-4-7-10(20)14(24)17(27)15(25)11(7)21/h1-4H/b3-1+,4-2+ |
| InChIKey | JBSHCVPSXHZNOJ-ZPUQHVIOSA-N |
| Molecular Weight | 414.202 g/mol |
| SMILES | C(\C=C\c1c(F)c(F)c(c(c1F)F)F)(\C=C\c1c(F)c(F)c(c(c1F)F)F)=O |