| SpectraBase Compound ID | 3txVkdlxEBr |
|---|---|
| InChI | InChI=1S/C12H12F13I/c1-2-3-4-6(26)5-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h6H,2-5H2,1H3 |
| InChIKey | BEQLOSVHRBTANS-UHFFFAOYSA-N |
| Mol Weight | 530.11 g/mol |
| Molecular Formula | C12H12F13I |
| Exact Mass | 529.977612 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LvSkQAQlWK8 |
|---|---|
| Name | 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodododecane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 529.977611505 u |
| Formula | C12H12F13I |
| InChI | InChI=1S/C12H12F13I/c1-2-3-4-6(26)5-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h6H,2-5H2,1H3 |
| InChIKey | BEQLOSVHRBTANS-UHFFFAOYSA-N |
| Molecular Weight | 530.112 g/mol |
| SMILES | C(F)(F)(C(F)(F)F)C(F)(F)C(C(C(CC(CCCC)I)(F)F)(F)F)(F)F |