| SpectraBase Compound ID | zFV9Mfi98x |
|---|---|
| InChI | InChI=1S/C16H24ClF5O4/c17-10-5-3-1-2-4-6-11-25-13(23)8-7-9-14(24)26-12-15(18,19)16(20,21)22/h1-12H2 |
| InChIKey | ANKTVYCEBQSQOI-UHFFFAOYSA-N |
| Mol Weight | 410.81 g/mol |
| Molecular Formula | C16H24ClF5O4 |
| Exact Mass | 410.128328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 627CqBmJwgI |
|---|---|
| Name | Glutaric acid, 8-chlorooctyl 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 | 410.128327764 u |
| Formula | C16H24ClF5O4 |
| InChI | InChI=1S/C16H24ClF5O4/c17-10-5-3-1-2-4-6-11-25-13(23)8-7-9-14(24)26-12-15(18,19)16(20,21)22/h1-12H2 |
| InChIKey | ANKTVYCEBQSQOI-UHFFFAOYSA-N |
| Molecular Weight | 410.809 g/mol |
| SMILES | C(CCC(OCCCCCCCCCl)=O)C(OCC(C(F)(F)F)(F)F)=O |