| SpectraBase Compound ID | CvHbotOil06 |
|---|---|
| InChI | InChI=1S/C12H8ClF5O3/c13-6(19)2-1-3-7(20)21-4-5-8(14)10(16)12(18)11(17)9(5)15/h1-4H2 |
| InChIKey | CERKZCLELURDSX-UHFFFAOYSA-N |
| Mol Weight | 330.64 g/mol |
| Molecular Formula | C12H8ClF5O3 |
| Exact Mass | 330.008213 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DeEoDbfjjBA |
|---|---|
| Name | Glutaric acid, monocloride, pentafluorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.008212630 u |
| Formula | C12H8ClF5O3 |
| InChI | InChI=1S/C12H8ClF5O3/c13-6(19)2-1-3-7(20)21-4-5-8(14)10(16)12(18)11(17)9(5)15/h1-4H2 |
| InChIKey | CERKZCLELURDSX-UHFFFAOYSA-N |
| Molecular Weight | 330.638 g/mol |
| SMILES | C1(=C(C(=C(C(=C1F)F)COC(=O)CCCC(Cl)=O)F)F)F |