| SpectraBase Spectrum ID |
5F8733c9dJM |
| Name |
(6Z)-6-(4-Methoxy-3-methyl-benzylidene)-1-p-anisyl-piperazine-2,5-quinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.157957192 u |
| Formula |
C21H22N2O4 |
| InChI |
InChI=1S/C21H22N2O4/c1-14-10-16(6-9-19(14)27-3)11-18-21(25)22-12-20(24)23(18)13-15-4-7-17(26-2)8-5-15/h4-11H,12-13H2,1-3H3,(H,22,25)/b18-11- |
| InChIKey |
PHWABVYTHGRHRK-WQRHYEAKSA-N |
| Molecular Weight |
366.417 g/mol |
| SMILES |
C1(NCC(N(\C1=C\C=1C=C(C(=CC1)OC)C)CC=1C=CC(=CC1)OC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932295 |
