| SpectraBase Spectrum ID |
5FeLpx6T7iI |
| Name |
1-[2,4-bis(Chloranyl)-1-(4-fluorophenyl)but-1-enyl]-4-fluoranyl-benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.028412112 u |
| Formula |
C16H12Cl2F2 |
| InChI |
InChI=1S/C16H12Cl2F2/c17-10-9-15(18)16(11-1-5-13(19)6-2-11)12-3-7-14(20)8-4-12/h1-8H,9-10H2 |
| InChIKey |
CWEDWEJOQYCSES-UHFFFAOYSA-N |
| Molecular Weight |
313.175 g/mol |
| SMILES |
C(=C(CCCl)Cl)(C=1C=CC(=CC1)F)C=1C=CC(=CC1)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910181 |
![1-[2,4-bis(Chloranyl)-1-(4-fluorophenyl)but-1-enyl]-4-fluoranyl-benzene](/api/spectrum/5FeLpx6T7iI/structure.png?h=300&w=458 "1-[2,4-bis(Chloranyl)-1-(4-fluorophenyl)but-1-enyl]-4-fluoranyl-benzene")
