| SpectraBase Compound ID | IxApj5IYOBI |
|---|---|
| InChI | InChI=1S/C5H3F6NO/c1-3(12-2-13,4(6,7)8)5(9,10)11/h1H3 |
| InChIKey | BQVZMXTZXPVSEE-UHFFFAOYSA-N |
| Mol Weight | 207.08 g/mol |
| Molecular Formula | C5H3F6NO |
| Exact Mass | 207.011883 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 | yIJv4Yb5u8 |
|---|---|
| Name | 1,1-bis(Difluoromethyl)ethyl isocyanate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.011882698 u |
| Formula | C5H3F6NO |
| InChI | InChI=1S/C5H3F6NO/c1-3(12-2-13,4(6,7)8)5(9,10)11/h1H3 |
| InChIKey | BQVZMXTZXPVSEE-UHFFFAOYSA-N |
| Molecular Weight | 207.075 g/mol |
| SMILES | CC(N=C=O)(C(F)(F)F)C(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941227 |