| SpectraBase Spectrum ID |
K7jODtKJduT |
| Name |
2-[3-(3,6-Diketocyclohexa-1,4-dien-1-yl)-2,4-diphenyl-cyclobutyl]-p-benzoquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
420.136159120 u |
| Formula |
C28H20O4 |
| InChI |
InChI=1S/C28H20O4/c29-19-11-13-23(31)21(15-19)27-25(17-7-3-1-4-8-17)28(22-16-20(30)12-14-24(22)32)26(27)18-9-5-2-6-10-18/h1-16,25-28H |
| InChIKey |
BRHHBBLKFCRYAQ-UHFFFAOYSA-N |
| Molecular Weight |
420.464 g/mol |
| SMILES |
C1(C2C(C=3C=CC=CC3)C(C3=CC(=O)C=CC3=O)C2C2=CC=CC=C2)=CC(=O)C=CC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902064 |
![2-[3-(3,6-Diketocyclohexa-1,4-dien-1-yl)-2,4-diphenyl-cyclobutyl]-p-benzoquinone](/api/spectrum/K7jODtKJduT/structure.png?h=300&w=458 "2-[3-(3,6-Diketocyclohexa-1,4-dien-1-yl)-2,4-diphenyl-cyclobutyl]-p-benzoquinone")
