| SpectraBase Spectrum ID |
1EzEXi5125b |
| Name |
1,5-Diphenyl-4-pentyne-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
248.083729624 u |
| Formula |
C17H12O2 |
| InChI |
InChI=1S/C17H12O2/c18-16(12-11-14-7-3-1-4-8-14)13-17(19)15-9-5-2-6-10-15/h1-10H,13H2 |
| InChIKey |
LZKOTIGIXOGJCW-UHFFFAOYSA-N |
| Molecular Weight |
248.281 g/mol |
| SMILES |
C(#CC(CC(=O)C=1C=CC=CC1)=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980925 |
