![1-[2,3-(Isopropylidenedioxy)-5-(2,2-dimethyl-[1,3]-dioxolan-5-yl)tetrafur-4-yl].beta.-iodo-.gamma.-perfluorononane](/api/spectrum/BM4UUAqI5RM/structure.png?h=300&w=458 "1-[2,3-(Isopropylidenedioxy)-5-(2,2-dimethyl-[1,3]-dioxolan-5-yl)tetrafur-4-yl].beta.-iodo-.gamma.-perfluorononane")
| SpectraBase Compound ID | InaSwNy7HbO |
|---|---|
| InChI | InChI=1S/C21H24F13IO6/c1-14(2)37-7-9(39-14)10-11(12-13(38-10)41-15(3,4)40-12)36-6-8(35)5-16(22,23)17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)34/h8-13H,5-7H2,1-4H3/t8-,9?,10?,11?,12?,13?/m0/s1 |
| InChIKey | OKYDSBCBLPCKCD-DDNJXNFVSA-N |
| Mol Weight | 746.3 g/mol |
| Molecular Formula | C21H24F13IO6 |
| Exact Mass | 746.041 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BM4UUAqI5RM |
|---|---|
| Name | 1-[2,3-(Isopropylidenedioxy)-5-(2,2-dimethyl-[1,3]-dioxolan-5-yl)tetrafur-4-yl].beta.-iodo-.gamma.-perfluorononane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 746.040999606 u |
| Formula | C21H24F13IO6 |
| InChI | InChI=1S/C21H24F13IO6/c1-14(2)37-7-9(39-14)10-11(12-13(38-10)41-15(3,4)40-12)36-6-8(35)5-16(22,23)17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)34/h8-13H,5-7H2,1-4H3/t8-,9?,10?,11?,12?,13?/m0/s1 |
| InChIKey | OKYDSBCBLPCKCD-DDNJXNFVSA-N |
| Molecular Weight | 746.301 g/mol |
| SMILES | C(C(C(C(F)(F)F)(F)F)(F)F)(C(C(C[C@@](COC1C2C(OC(O2)(C)C)OC1C1OC(C)(C)OC1)(I)[H])(F)F)(F)F)(F)F |