| SpectraBase Spectrum ID |
5KCLl0LHonl |
| Name |
1,4-bis(3-Fluorophenyl) buta-1,3-diyne |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.059406584 u |
| Formula |
C16H8F2 |
| InChI |
InChI=1S/C16H8F2/c17-15-9-3-7-13(11-15)5-1-2-6-14-8-4-10-16(18)12-14/h3-4,7-12H |
| InChIKey |
ROHJSVUPNRYIQZ-UHFFFAOYSA-N |
| Molecular Weight |
238.237 g/mol |
| SMILES |
C(#CC#CC=1C=C(C=CC1)F)C=1C=C(C=CC1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.820557 |
