| SpectraBase Compound ID | 66hDQPnDbh8 |
|---|---|
| InChI | InChI=1S/C12H17F5O4/c1-7(2)8(3)21-10(19)5-4-9(18)20-6-11(13,14)12(15,16)17/h7-8H,4-6H2,1-3H3 |
| InChIKey | BPTZAEMSNFQMBZ-UHFFFAOYSA-N |
| Mol Weight | 320.26 g/mol |
| Molecular Formula | C12H17F5O4 |
| Exact Mass | 320.1047 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HXxtebuJk0Y |
|---|---|
| Name | Succinic acid, 3-methylbut-2-yl 2,2,3,3,3-pentafluoropropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.104699838 u |
| Formula | C12H17F5O4 |
| InChI | InChI=1S/C12H17F5O4/c1-7(2)8(3)21-10(19)5-4-9(18)20-6-11(13,14)12(15,16)17/h7-8H,4-6H2,1-3H3 |
| InChIKey | BPTZAEMSNFQMBZ-UHFFFAOYSA-N |
| Molecular Weight | 320.256 g/mol |
| SMILES | C(CC(OC(C(C)C)C)=O)C(OCC(C(F)(F)F)(F)F)=O |