| SpectraBase Compound ID | Cl8FD0qeIPS |
|---|---|
| InChI | InChI=1S/C15H11ClF2O3/c16-15(17,18)14(19)20-10-11-5-4-8-13(9-11)21-12-6-2-1-3-7-12/h1-9H,10H2 |
| InChIKey | ZEXMAEBMJBOOOV-UHFFFAOYSA-N |
| Mol Weight | 312.7 g/mol |
| Molecular Formula | C15H11ClF2O3 |
| Exact Mass | 312.036478 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4fNyHarAyOH |
|---|---|
| Name | 3-Phenoxybenzyl alcohol, chlorodifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.036478237 u |
| Formula | C15H11ClF2O3 |
| InChI | InChI=1S/C15H11ClF2O3/c16-15(17,18)14(19)20-10-11-5-4-8-13(9-11)21-12-6-2-1-3-7-12/h1-9H,10H2 |
| InChIKey | ZEXMAEBMJBOOOV-UHFFFAOYSA-N |
| Molecular Weight | 312.700 g/mol |
| SMILES | C1(OC2=CC=CC=C2)=CC(COC(C(F)(F)Cl)=O)=CC=C1 |