| SpectraBase Compound ID | Klx2GO4Hpr3 |
|---|---|
| InChI | InChI=1S/C12H16FNO/c1-2-3-4-12(15)14-9-10-5-7-11(13)8-6-10/h5-8H,2-4,9H2,1H3,(H,14,15) |
| InChIKey | QMCOCDXDFLCWDP-UHFFFAOYSA-N |
| Mol Weight | 209.26 g/mol |
| Molecular Formula | C12H16FNO |
| Exact Mass | 209.121592 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | A7VufyOHdXm |
|---|---|
| Name | 4-Fluorobenzylamine pent |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 209.121592301 u |
| Formula | C12H16FNO |
| InChI | InChI=1S/C12H16FNO/c1-2-3-4-12(15)14-9-10-5-7-11(13)8-6-10/h5-8H,2-4,9H2,1H3,(H,14,15) |
| InChIKey | QMCOCDXDFLCWDP-UHFFFAOYSA-N |
| Molecular Weight | 209.264 g/mol |
| SMILES | C=1(CNC(CCCC)=O)C=CC(=CC1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929662 |