| SpectraBase Spectrum ID |
I3FpiwIxXqn |
| Name |
Methyl 4-((E)-{(3E)-5-tert-butyl-3-[4-(methoxycarbonyl)benzylidene]-2-oxocyclohexylidene}methyl)benzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.209324061 u |
| Formula |
C28H30O5 |
| InChI |
InChI=1S/C28H30O5/c1-28(2,3)24-16-22(14-18-6-10-20(11-7-18)26(30)32-4)25(29)23(17-24)15-19-8-12-21(13-9-19)27(31)33-5/h6-15,24H,16-17H2,1-5H3/b22-14+,23-15+ |
| InChIKey |
NADWIFYTOHURMR-HOFJZWJUSA-N |
| Molecular Weight |
446.543 g/mol |
| SMILES |
C1(\C(CC(C\C1=C\C1=CC=C(C(=O)OC)C=C1)C(C)(C)C)=C\C=1C=CC(C(=O)OC)=CC1)=O |
![methyl 4-((E)-{(3E)-5-tert-butyl-3-[4-(methoxycarbonyl)benzylidene]-2-oxocyclohexylidene}methyl)benzoate](/api/spectrum/I3FpiwIxXqn/structure.png?h=300&w=458 "methyl 4-((E)-{(3E)-5-tert-butyl-3-[4-(methoxycarbonyl)benzylidene]-2-oxocyclohexylidene}methyl)benzoate")
