| SpectraBase Compound ID | 9BjmI3twENy |
|---|---|
| InChI | InChI=1S/C11H6F14O4/c1-3(29-5(27)7(14,15)9(18,19)11(23,24)25)2-28-4(26)6(12,13)8(16,17)10(20,21)22/h3H,2H2,1H3 |
| InChIKey | MCZXUJJEJUJKKZ-UHFFFAOYSA-N |
| Mol Weight | 468.14 g/mol |
| Molecular Formula | C11H6F14O4 |
| Exact Mass | 468.004253 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ChahkUKG1Ic |
|---|---|
| Name | 1,2-Propanediol, bis(heptafluorobutyrate) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 468.004252951 u |
| Formula | C11H6F14O4 |
| InChI | InChI=1S/C11H6F14O4/c1-3(29-5(27)7(14,15)9(18,19)11(23,24)25)2-28-4(26)6(12,13)8(16,17)10(20,21)22/h3H,2H2,1H3 |
| InChIKey | MCZXUJJEJUJKKZ-UHFFFAOYSA-N |
| Molecular Weight | 468.143 g/mol |
| SMILES | CC(COC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |