| SpectraBase Compound ID | ANShDNJQKub |
|---|---|
| InChI | InChI=1S/C17H19F5O4/c1-9(2)4-3-7-25-11(23)5-6-12(24)26-8-10-13(18)15(20)17(22)16(21)14(10)19/h9H,3-8H2,1-2H3 |
| InChIKey | KDDRUFBXYQXPRL-UHFFFAOYSA-N |
| Mol Weight | 382.33 g/mol |
| Molecular Formula | C17H19F5O4 |
| Exact Mass | 382.12035 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Rz76qt8xGC |
|---|---|
| Name | Succinic acid, isohexyl pentafluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.120349903 u |
| Formula | C17H19F5O4 |
| InChI | InChI=1S/C17H19F5O4/c1-9(2)4-3-7-25-11(23)5-6-12(24)26-8-10-13(18)15(20)17(22)16(21)14(10)19/h9H,3-8H2,1-2H3 |
| InChIKey | KDDRUFBXYQXPRL-UHFFFAOYSA-N |
| Molecular Weight | 382.327 g/mol |
| SMILES | C(C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)CC(OCCCC(C)C)=O |