| SpectraBase Compound ID | 6VzITHTXCET |
|---|---|
| InChI | InChI=1S/C4H4F3NO/c5-4(6,7)3(9)1-2-8/h1-2H,8H2/b2-1+ |
| InChIKey | DHJDPIHFALRNER-OWOJBTEDSA-N |
| Mol Weight | 139.08 g/mol |
| Molecular Formula | C4H4F3NO |
| Exact Mass | 139.024498 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4yF5gznh1NT |
|---|---|
| Name | 4-Amino-1,1,1-trifluorobut-3-en-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 139.024498241 u |
| Formula | C4H4F3NO |
| InChI | InChI=1S/C4H4F3NO/c5-4(6,7)3(9)1-2-8/h1-2H,8H2/b2-1+ |
| InChIKey | DHJDPIHFALRNER-OWOJBTEDSA-N |
| Molecular Weight | 139.077 g/mol |
| SMILES | C(F)(F)(F)C(=O)\C=C\N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.803594 |