| SpectraBase Compound ID | L541Cm0SQnV |
|---|---|
| InChI | InChI=1S/C12H6ClF7O4/c13-5-8(21)23-6-2-1-3-7(4-6)24-9(22)10(14,15)11(16,17)12(18,19)20/h1-4H,5H2 |
| InChIKey | VDWJDPDCVPLDSB-UHFFFAOYSA-N |
| Mol Weight | 382.62 g/mol |
| Molecular Formula | C12H6ClF7O4 |
| Exact Mass | 381.984284 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Id32eR6pfaE |
|---|---|
| Name | 1,3-Benzenediol, o-chloroacetyl-o'-heptafluorobutyryl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 381.984283510 u |
| Formula | C12H6ClF7O4 |
| InChI | InChI=1S/C12H6ClF7O4/c13-5-8(21)23-6-2-1-3-7(4-6)24-9(22)10(14,15)11(16,17)12(18,19)20/h1-4H,5H2 |
| InChIKey | VDWJDPDCVPLDSB-UHFFFAOYSA-N |
| Molecular Weight | 382.618 g/mol |
| SMILES | C1(=CC(=CC=C1)OC(CCl)=O)OC(C(C(C(F)(F)F)(F)F)(F)F)=O |