| SpectraBase Compound ID | CUQqT5rsn1Y |
|---|---|
| InChI | InChI=1S/C16H17F5O4/c1-3-4-7-24-9(22)5-6-10(23)25-8(2)11-12(17)14(19)16(21)15(20)13(11)18/h8H,3-7H2,1-2H3 |
| InChIKey | AHLJJBVFWNRJGZ-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 | 9jCX1Qm2mLC |
|---|---|
| Name | Succinic acid, butyl 1-(pentafluorophenyl)ethyl 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/c1-3-4-7-24-9(22)5-6-10(23)25-8(2)11-12(17)14(19)16(21)15(20)13(11)18/h8H,3-7H2,1-2H3 |
| InChIKey | AHLJJBVFWNRJGZ-UHFFFAOYSA-N |
| Molecular Weight | 368.300 g/mol |
| SMILES | C1(=C(C(=C(C(=C1F)F)C(OC(=O)CCC(OCCCC)=O)C)F)F)F |