| SpectraBase Compound ID | EHEGaS7QuEt |
|---|---|
| InChI | InChI=1S/C13H9FN2/c14-11-5-6-13(16)12(7-11)10-3-1-9(8-15)2-4-10/h1-7H,16H2 |
| InChIKey | QRLRYUMFPACFLT-UHFFFAOYSA-N |
| Mol Weight | 212.23 g/mol |
| Molecular Formula | C13H9FN2 |
| Exact Mass | 212.074976 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EjfOBkI5YH1 |
|---|---|
| Name | 4'-Cyano-5-fluorobiphenyl-2-amine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.074976461 u |
| Formula | C13H9FN2 |
| InChI | InChI=1S/C13H9FN2/c14-11-5-6-13(16)12(7-11)10-3-1-9(8-15)2-4-10/h1-7H,16H2 |
| InChIKey | QRLRYUMFPACFLT-UHFFFAOYSA-N |
| Molecular Weight | 212.227 g/mol |
| SMILES | C=1C=C(C=CC1C#N)C=1C(=CC=C(C1)F)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.875348 |