| SpectraBase Compound ID | 6jlZE8HAyUX |
|---|---|
| InChI | InChI=1S/C16H17F5O4/c1-7(2)8(3)25-11(23)5-4-10(22)24-6-9-12(17)14(19)16(21)15(20)13(9)18/h7-8H,4-6H2,1-3H3 |
| InChIKey | KAGHWEZMJOUCOL-UHFFFAOYSA-N |
| Mol Weight | 368.3 g/mol |
| Molecular Formula | C16H17F5O4 |
| Exact Mass | 368.1047 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BY3rJ6UZ5KS |
|---|---|
| Name | Succinic acid, 3-methylbut-2-yl pentafluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.104699838 u |
| Formula | C16H17F5O4 |
| InChI | InChI=1S/C16H17F5O4/c1-7(2)8(3)25-11(23)5-4-10(22)24-6-9-12(17)14(19)16(21)15(20)13(9)18/h7-8H,4-6H2,1-3H3 |
| InChIKey | KAGHWEZMJOUCOL-UHFFFAOYSA-N |
| Molecular Weight | 368.300 g/mol |
| SMILES | C(CC(OC(C(C)C)C)=O)C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O |