| SpectraBase Compound ID | KFzaJCcbN35 |
|---|---|
| InChI | InChI=1S/C5H7F2NO/c1-8-3-2-5(6,7)4(8)9/h2-3H2,1H3 |
| InChIKey | CNCBQTFLOJRWSM-UHFFFAOYSA-N |
| Mol Weight | 135.11 g/mol |
| Molecular Formula | C5H7F2NO |
| Exact Mass | 135.04957 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5vwRLtGLGCc |
|---|---|
| Name | 3,3-bis(Fluoranyl)-1-methyl-pyrrolidin-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 135.049570174 u |
| Formula | C5H7F2NO |
| InChI | InChI=1S/C5H7F2NO/c1-8-3-2-5(6,7)4(8)9/h2-3H2,1H3 |
| InChIKey | CNCBQTFLOJRWSM-UHFFFAOYSA-N |
| Molecular Weight | 135.114 g/mol |
| SMILES | C1(C(CCN1C)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.803732 |