| SpectraBase Spectrum ID |
FJbNIL0uX6C |
| Name |
(4E)-4-[4-[2-[2-(3,4-Dimethylphenoxy)ethoxy]ethoxy]-3-ethoxy-benzylidene]-1-phenyl-pyrazolidine-3,5-quinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
516.226036752 u |
| Formula |
C30H32N2O6 |
| InChI |
InChI=1S/C30H32N2O6/c1-4-36-28-20-23(19-26-29(33)31-32(30(26)34)24-8-6-5-7-9-24)11-13-27(28)38-17-15-35-14-16-37-25-12-10-21(2)22(3)18-25/h5-13,18-20H,4,14-17H2,1-3H3,(H,31,33)/b26-19+ |
| InChIKey |
PSEGUUDJEYUTFI-LGUFXXKBSA-N |
| Molecular Weight |
516.594 g/mol |
| SMILES |
C1(\C(C(NN1C1=CC=CC=C1)=O)=C\C=1C=C(OCC)C(=CC1)OCCOCCOC1=CC(C)=C(C=C1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936284 |
![(4E)-4-[4-[2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy]-3-ethoxy-benzylidene]-1-phenyl-pyrazolidine-3,5-quinone](/api/spectrum/FJbNIL0uX6C/structure.png?h=300&w=458 "(4E)-4-[4-[2-[2-(3,4-dimethylphenoxy)ethoxy]ethoxy]-3-ethoxy-benzylidene]-1-phenyl-pyrazolidine-3,5-quinone")
