| SpectraBase Compound ID | 1QcQ7c6R1UU |
|---|---|
| InChI | InChI=1S/C8H5F2NO/c9-8(10)12-7-3-1-2-6(4-7)5-11/h1-4,8H |
| InChIKey | JCBOPIBHZFBHQW-UHFFFAOYSA-N |
| Mol Weight | 169.13 g/mol |
| Molecular Formula | C8H5F2NO |
| Exact Mass | 169.03392 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 36emKUYrlm3 |
|---|---|
| Name | 3-(Difluoromethoxy)benzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 169.033920110 u |
| Formula | C8H5F2NO |
| InChI | InChI=1S/C8H5F2NO/c9-8(10)12-7-3-1-2-6(4-7)5-11/h1-4,8H |
| InChIKey | JCBOPIBHZFBHQW-UHFFFAOYSA-N |
| Molecular Weight | 169.131 g/mol |
| SMILES | C(F)(OC1=CC(C#N)=CC=C1)F |
| Spectrum/Structure Validation Score (Raman) | 0.955005 |