| SpectraBase Spectrum ID |
8yzechAOcDn |
| Name |
(E)-3,4-Dibenzoyl-3-hexene-2,5-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.104858991 u |
| Formula |
C20H16O4 |
| InChI |
InChI=1S/C20H16O4/c1-13(21)17(19(23)15-9-5-3-6-10-15)18(14(2)22)20(24)16-11-7-4-8-12-16/h3-12H,1-2H3/b18-17+ |
| InChIKey |
GQMKHEIMRNKUKE-ISLYRVAYSA-N |
| Molecular Weight |
320.344 g/mol |
| SMILES |
CC(\C(=C\(C(C)=O)C(C=1C=CC=CC1)=O)C(C=1C=CC=CC1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919822 |
