| SpectraBase Compound ID | 1FWRAvl6X9G |
|---|---|
| InChI | InChI=1S/C16H25F8I/c1-3-5-7-8-10-13(17,18)15(21,22)16(23,24)14(19,20)11-12(25)9-6-4-2/h12H,3-11H2,1-2H3 |
| InChIKey | QPTZPRJDIZXMAW-UHFFFAOYSA-N |
| Mol Weight | 496.27 g/mol |
| Molecular Formula | C16H25F8I |
| Exact Mass | 496.087321 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FMvIca9kAKA |
|---|---|
| Name | 7,7,8,8,9,9,10,10-Octafluoro-5-iodo-hexadecane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 496.087321109 u |
| Formula | C16H25F8I |
| InChI | InChI=1S/C16H25F8I/c1-3-5-7-8-10-13(17,18)15(21,22)16(23,24)14(19,20)11-12(25)9-6-4-2/h12H,3-11H2,1-2H3 |
| InChIKey | QPTZPRJDIZXMAW-UHFFFAOYSA-N |
| Molecular Weight | 496.268 g/mol |
| SMILES | C(C(C(F)(F)C(F)(F)CCCCCC)(F)F)(CC(CCCC)I)(F)F |