| SpectraBase Compound ID | IMRCkdVWtMZ |
|---|---|
| InChI | InChI=1S/C8H4F12O2/c1-22-3(21)5(13,14)7(17,18)8(19,20)6(15,16)4(11,12)2(9)10/h2H,1H3 |
| InChIKey | OJPGHRSOBKDLSK-UHFFFAOYSA-N |
| Mol Weight | 360.1 g/mol |
| Molecular Formula | C8H4F12O2 |
| Exact Mass | 360.001967 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4RSqICvaDew |
|---|---|
| Name | Methyl 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.001967323 u |
| Formula | C8H4F12O2 |
| InChI | InChI=1S/C8H4F12O2/c1-22-3(21)5(13,14)7(17,18)8(19,20)6(15,16)4(11,12)2(9)10/h2H,1H3 |
| InChIKey | OJPGHRSOBKDLSK-UHFFFAOYSA-N |
| Molecular Weight | 360.099 g/mol |
| SMILES | C(C(C(C(F)F)(F)F)(F)F)(C(C(C(OC)=O)(F)F)(F)F)(F)F |