| SpectraBase Spectrum ID |
ILeVyX4MzEn |
| Name |
2-Fluoro-N-(1-phenylpropyl)aniline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
229.126677682 u |
| Formula |
C15H16FN |
| InChI |
InChI=1S/C15H16FN/c1-2-14(12-8-4-3-5-9-12)17-15-11-7-6-10-13(15)16/h3-11,14,17H,2H2,1H3 |
| InChIKey |
SQQWMOIMXORIRC-UHFFFAOYSA-N |
| Molecular Weight |
229.298 g/mol |
| SMILES |
C(NC1=C(C=CC=C1)F)(C=1C=CC=CC1)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87216 |
