| SpectraBase Compound ID | 5TjXiNpH4ZA |
|---|---|
| InChI | InChI=1S/C16H13F5O4/c1-3-5-8(4-2)24-9(22)6-7-10(23)25-16-14(20)12(18)11(17)13(19)15(16)21/h8H,4,6-7H2,1-2H3 |
| InChIKey | APQQVLPUJDOCFA-UHFFFAOYSA-N |
| Mol Weight | 364.27 g/mol |
| Molecular Formula | C16H13F5O4 |
| Exact Mass | 364.0734 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AFgegiEaMWP |
|---|---|
| Name | Succinic acid, hex-4-yn-3-yl pentafluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.073399710 u |
| Formula | C16H13F5O4 |
| InChI | InChI=1S/C16H13F5O4/c1-3-5-8(4-2)24-9(22)6-7-10(23)25-16-14(20)12(18)11(17)13(19)15(16)21/h8H,4,6-7H2,1-2H3 |
| InChIKey | APQQVLPUJDOCFA-UHFFFAOYSA-N |
| Molecular Weight | 364.268 g/mol |
| SMILES | C(CC(OC(CC)C#CC)=O)C(OC1=C(C(=C(C(=C1F)F)F)F)F)=O |