![Ethanone, 1-[4-(difluoromethoxy)phenyl]-](/api/spectrum/CEymlAUnyDg/structure.png?h=300&w=458 "Ethanone, 1-[4-(difluoromethoxy)phenyl]-")
| SpectraBase Compound ID | GUiMn7I6RbH |
|---|---|
| InChI | InChI=1S/C9H8F2O2/c1-6(12)7-2-4-8(5-3-7)13-9(10)11/h2-5,9H,1H3 |
| InChIKey | GIGWRVLNOYPOIT-UHFFFAOYSA-N |
| Mol Weight | 186.16 g/mol |
| Molecular Formula | C9H8F2O2 |
| Exact Mass | 186.049236 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CEymlAUnyDg |
|---|---|
| Name | Ethanone, 1-[4-(difluoromethoxy)phenyl]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.049235822 u |
| Formula | C9H8F2O2 |
| InChI | InChI=1S/C9H8F2O2/c1-6(12)7-2-4-8(5-3-7)13-9(10)11/h2-5,9H,1H3 |
| InChIKey | GIGWRVLNOYPOIT-UHFFFAOYSA-N |
| Molecular Weight | 186.158 g/mol |
| SMILES | C1(=CC=C(C=C1)C(C)=O)OC(F)F |
| Spectrum/Structure Validation Score (Raman) | 0.976696 |