| SpectraBase Compound ID | BFJQeq9N8kS |
|---|---|
| InChI | InChI=1S/C16H10ClF5O2/c17-12-6-7-13(24-14(23)15(18,19)16(20,21)22)11(9-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2 |
| InChIKey | WQVMYTQNWQZNPD-UHFFFAOYSA-N |
| Mol Weight | 364.7 g/mol |
| Molecular Formula | C16H10ClF5O2 |
| Exact Mass | 364.028948 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9JL53DSCja3 |
|---|---|
| Name | Clorofene, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.028948075 u |
| Formula | C16H10ClF5O2 |
| InChI | InChI=1S/C16H10ClF5O2/c17-12-6-7-13(24-14(23)15(18,19)16(20,21)22)11(9-12)8-10-4-2-1-3-5-10/h1-7,9H,8H2 |
| InChIKey | WQVMYTQNWQZNPD-UHFFFAOYSA-N |
| Molecular Weight | 364.699 g/mol |
| SMILES | C1(Cl)=CC(=C(C=C1)OC(C(C(F)(F)F)(F)F)=O)CC1=CC=CC=C1 |