| SpectraBase Compound ID | DSNJLfKYspZ |
|---|---|
| InChI | InChI=1S/C11H16FN/c1-2-3-8-13-9-10-4-6-11(12)7-5-10/h4-7,13H,2-3,8-9H2,1H3 |
| InChIKey | SZEFNSDEEORQSF-UHFFFAOYSA-N |
| Mol Weight | 181.25 g/mol |
| Molecular Formula | C11H16FN |
| Exact Mass | 181.126678 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1Txg16YR6cY |
|---|---|
| Name | N-Butyl-4-fluorobenzylamine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.126677682 u |
| Formula | C11H16FN |
| InChI | InChI=1S/C11H16FN/c1-2-3-8-13-9-10-4-6-11(12)7-5-10/h4-7,13H,2-3,8-9H2,1H3 |
| InChIKey | SZEFNSDEEORQSF-UHFFFAOYSA-N |
| Molecular Weight | 181.254 g/mol |
| SMILES | C1(CNCCCC)=CC=C(C=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.868182 |