| SpectraBase Compound ID | JkB2HJWskoC |
|---|---|
| InChI | InChI=1S/C7H2F3N/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2H |
| InChIKey | XFKYJMGXZXJYBS-UHFFFAOYSA-N |
| Mol Weight | 157.1 g/mol |
| Molecular Formula | C7H2F3N |
| Exact Mass | 157.013934 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 59V1oDdChtx |
|---|---|
| Name | 3,4,5-Trifluorobenzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 157.013933557 u |
| Formula | C7H2F3N |
| InChI | InChI=1S/C7H2F3N/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2H |
| InChIKey | XFKYJMGXZXJYBS-UHFFFAOYSA-N |
| Molecular Weight | 157.095 g/mol |
| SMILES | C(#N)C1=CC(=C(C(=C1)F)F)F |
| Spectrum/Structure Validation Score (Raman) | 0.948429 |