| SpectraBase Compound ID | AKxY9LR2UOt |
|---|---|
| InChI | InChI=1S/C8H8F2O/c1-6-2-4-7(5-3-6)11-8(9)10/h2-5,8H,1H3 |
| InChIKey | DJDQNISEJVPQCS-UHFFFAOYSA-N |
| Mol Weight | 158.15 g/mol |
| Molecular Formula | C8H8F2O |
| Exact Mass | 158.054321 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | DUKB3tBqNIP |
|---|---|
| Name | 4-(Difluoromethoxy)toluene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.054321203 u |
| Formula | C8H8F2O |
| InChI | InChI=1S/C8H8F2O/c1-6-2-4-7(5-3-6)11-8(9)10/h2-5,8H,1H3 |
| InChIKey | DJDQNISEJVPQCS-UHFFFAOYSA-N |
| Molecular Weight | 158.148 g/mol |
| SMILES | C1=CC(=CC=C1C)OC(F)F |
| Spectrum/Structure Validation Score (Raman) | 0.875048 |