| SpectraBase Compound ID | HSeqPc80ykM |
|---|---|
| InChI | InChI=1S/C8H7FN2/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3H,4,10H2 |
| InChIKey | QREAXVRKRXUJKQ-UHFFFAOYSA-N |
| Mol Weight | 150.16 g/mol |
| Molecular Formula | C8H7FN2 |
| Exact Mass | 150.059326 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 71H9Hb9PcYM |
|---|---|
| Name | 4-(Aminomethyl)-2-fluorobenzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 150.059326396 u |
| Formula | C8H7FN2 |
| InChI | InChI=1S/C8H7FN2/c9-8-3-6(4-10)1-2-7(8)5-11/h1-3H,4,10H2 |
| InChIKey | QREAXVRKRXUJKQ-UHFFFAOYSA-N |
| Molecular Weight | 150.156 g/mol |
| SMILES | C(C1=C(C=C(C=C1)CN)F)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.860883 |