| SpectraBase Compound ID | Hu7wLLUNzyo |
|---|---|
| InChI | InChI=1S/C8H5F2NO/c9-8(10,11-6-12)7-4-2-1-3-5-7/h1-5H |
| InChIKey | WAIWRORXUAQICK-UHFFFAOYSA-N |
| Mol Weight | 169.13 g/mol |
| Molecular Formula | C8H5F2NO |
| Exact Mass | 169.03392 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | AoGyJsNALRf |
|---|---|
| Name | (Difluoro-isocyanatomethyl)benzene |
| 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(10,11-6-12)7-4-2-1-3-5-7/h1-5H |
| InChIKey | WAIWRORXUAQICK-UHFFFAOYSA-N |
| Molecular Weight | 169.131 g/mol |
| SMILES | C(N=C=O)(C=1C=CC=CC1)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968608 |