| SpectraBase Compound ID | IfhG6fziB0w |
|---|---|
| InChI | InChI=1S/C9H7ClF2O3/c1-14-6-3-2-4-7(5-6)15-8(13)9(10,11)12/h2-5H,1H3 |
| InChIKey | XTGUEFMPMIEDFB-UHFFFAOYSA-N |
| Mol Weight | 236.6 g/mol |
| Molecular Formula | C9H7ClF2O3 |
| Exact Mass | 236.005178 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3v8BXNCT2G |
|---|---|
| Name | 3-Methoxyphenol, chlorodifluoroacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.005178108 u |
| Formula | C9H7ClF2O3 |
| InChI | InChI=1S/C9H7ClF2O3/c1-14-6-3-2-4-7(5-6)15-8(13)9(10,11)12/h2-5H,1H3 |
| InChIKey | XTGUEFMPMIEDFB-UHFFFAOYSA-N |
| Molecular Weight | 236.602 g/mol |
| SMILES | C1=C(OC(C(F)(F)Cl)=O)C=CC=C1OC |