| SpectraBase Spectrum ID |
Af2hBobvA8B |
| Name |
(Z)-3-(3-Fluorophenyl)-2-propylhex-2-enenitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
231.142327747 u |
| Formula |
C15H18FN |
| InChI |
InChI=1S/C15H18FN/c1-3-6-13(11-17)15(7-4-2)12-8-5-9-14(16)10-12/h5,8-10H,3-4,6-7H2,1-2H3/b15-13- |
| InChIKey |
BXQCGHSXHSDTTA-SQFISAMPSA-N |
| Molecular Weight |
231.314 g/mol |
| SMILES |
C1(\C(=C\(CCC)C#N)CCC)=CC(=CC=C1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845315 |
