| SpectraBase Spectrum ID |
8AykAoMXUon |
| Name |
1-(2,6-Diisopropylphenylimino)-3-(4-fulorophenyl)prop-2-yne |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
307.173627875 u |
| Formula |
C21H22FN |
| InChI |
InChI=1S/C21H22FN/c1-15(2)19-8-5-9-20(16(3)4)21(19)23-14-6-7-17-10-12-18(22)13-11-17/h5,8-16H,1-4H3/b23-14+ |
| InChIKey |
SRAJOZLVAGXDRM-OEAKJJBVSA-N |
| Molecular Weight |
307.412 g/mol |
| SMILES |
C1(=C(C(C)C)C=CC=C1C(C)C)\N=C\C#CC=1C=CC(=CC1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936076 |
