| SpectraBase Spectrum ID |
JP1MQmZgpit |
| Name |
Propanedinitrile, [2,5-bis(4-methoxyphenyl)-4-oxo-3-phenyl-2-cyclopenten-1-ylidene]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
432.147392509 u |
| Formula |
C28H20N2O3 |
| InChI |
InChI=1S/C28H20N2O3/c1-32-22-12-8-19(9-13-22)24-25(21(16-29)17-30)27(20-10-14-23(33-2)15-11-20)28(31)26(24)18-6-4-3-5-7-18/h3-15,27H,1-2H3 |
| InChIKey |
WBVMUXMWFUPBQP-UHFFFAOYSA-N |
| Molecular Weight |
432.479 g/mol |
| SMILES |
C1(C(=C(C2=CC=CC=C2)C(C1C1=CC=C(C=C1)OC)=O)C=1C=CC(=CC1)OC)=C(C#N)C#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886358 |
![Propanedinitrile, [2,5-bis(4-methoxyphenyl)-4-oxo-3-phenyl-2-cyclopenten-1-ylidene]-](/api/spectrum/JP1MQmZgpit/structure.png?h=300&w=458 "Propanedinitrile, [2,5-bis(4-methoxyphenyl)-4-oxo-3-phenyl-2-cyclopenten-1-ylidene]-")
