| SpectraBase Compound ID | 5czryVVAwx1 |
|---|---|
| InChI | InChI=1S/C11H16FN/c1-2-8-13-9-7-10-3-5-11(12)6-4-10/h3-6,13H,2,7-9H2,1H3 |
| InChIKey | PJJKHXMLWPXBTB-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 | DhbrqPbr4cX |
|---|---|
| Name | N-Propyl-4-fluorophenethylamine |
| 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/c1-2-8-13-9-7-10-3-5-11(12)6-4-10/h3-6,13H,2,7-9H2,1H3 |
| InChIKey | PJJKHXMLWPXBTB-UHFFFAOYSA-N |
| Molecular Weight | 181.254 g/mol |
| SMILES | C=1(C=CC(=CC1)F)CCNCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.898855 |