| SpectraBase Spectrum ID |
LD2HGSmf2gg |
| Name |
1-[4-[2-(4-Acetylphenyl)ethynyl]phenyl]ethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.099379689 u |
| Formula |
C18H14O2 |
| InChI |
InChI=1S/C18H14O2/c1-13(19)17-9-5-15(6-10-17)3-4-16-7-11-18(12-8-16)14(2)20/h5-12H,1-2H3 |
| InChIKey |
KIMMSYNNXRKRPS-UHFFFAOYSA-N |
| Molecular Weight |
262.308 g/mol |
| SMILES |
C(#CC=1C=CC(=CC1)C(=O)C)C=1C=CC(=CC1)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950704 |
![1-[4-[2-(4-Acetylphenyl)ethynyl]phenyl]ethanone](/api/spectrum/LD2HGSmf2gg/structure.png?h=300&w=458 "1-[4-[2-(4-Acetylphenyl)ethynyl]phenyl]ethanone")
